 Entering Gaussian System, Link 0=g16
 Input=17_camphor_STD_B3LYPDBJ-def2SVPDr.in
 Output=17_camphor_STD_B3LYPDBJ-def2SVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/17_camphor_STD/Gau-5228.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2SVPD/17_camphor_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      5230.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=17_camphor_STD_B3LYPDBJ-def2SVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Jul 16 13:10:02 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "17_camphor_STD_B3LYPDBJ-def2SVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 0.909392000000     -0.256340000000      0.424222000000
  C                                                -0.288665000000     -0.500024000000     -0.551274000000
  C                                                -0.053948000000      0.598961000000     -1.631490000000
  C                                                 0.591340000000      1.776614000000     -0.850814000000
  C                                                 0.596393000000      1.259663000000      0.600580000000
  C                                                -1.441722000000      0.068745000000      0.275102000000
  C                                                -0.867880000000      1.247572000000      1.065930000000
  C                                                -0.529239000000     -1.889055000000     -1.090275000000
  O                                                -2.580268000000     -0.322725000000      0.294255000000
  C                                                 2.280642000000     -0.533766000000     -0.190909000000
  C                                                 0.806031000000     -1.067470000000      1.719398000000
  H                                                 0.609760000000      0.209736000000     -2.403647000000
  H                                                -0.986507000000      0.874939000000     -2.124235000000
  H                                                 0.019349000000      2.699916000000     -0.943059000000
  H                                                 1.598811000000      1.987373000000     -1.206735000000
  H                                                -0.984333000000      1.058438000000      2.133454000000
  H                                                -1.413116000000      2.164495000000      0.837905000000
  H                                                 1.274732000000      1.792071000000      1.266719000000
  H                                                -1.431450000000     -1.907859000000     -1.702944000000
  H                                                -0.672824000000     -2.608440000000     -0.282929000000
  H                                                 0.309210000000     -2.221656000000     -1.704806000000
  H                                                 2.441196000000     -0.030031000000     -1.141406000000
  H                                                 2.414644000000     -1.604084000000     -0.357383000000
  H                                                 3.068204000000     -0.208479000000      0.493063000000
  H                                                -0.176749000000     -1.018099000000      2.186698000000
  H                                                 1.540309000000     -0.715601000000      2.447452000000
  H                                                 1.016848000000     -2.120323000000      1.524992000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12          16          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.909392   -0.256340    0.424222
      2          6           0       -0.288665   -0.500024   -0.551274
      3          6           0       -0.053948    0.598961   -1.631490
      4          6           0        0.591340    1.776614   -0.850814
      5          6           0        0.596393    1.259663    0.600580
      6          6           0       -1.441722    0.068745    0.275102
      7          6           0       -0.867880    1.247572    1.065930
      8          6           0       -0.529239   -1.889055   -1.090275
      9          8           0       -2.580268   -0.322725    0.294255
     10          6           0        2.280642   -0.533766   -0.190909
     11          6           0        0.806031   -1.067470    1.719398
     12          1           0        0.609760    0.209736   -2.403647
     13          1           0       -0.986507    0.874939   -2.124235
     14          1           0        0.019349    2.699916   -0.943059
     15          1           0        1.598811    1.987373   -1.206735
     16          1           0       -0.984333    1.058438    2.133454
     17          1           0       -1.413116    2.164495    0.837905
     18          1           0        1.274732    1.792071    1.266719
     19          1           0       -1.431450   -1.907859   -1.702944
     20          1           0       -0.672824   -2.608440   -0.282929
     21          1           0        0.309210   -2.221656   -1.704806
     22          1           0        2.441196   -0.030031   -1.141406
     23          1           0        2.414644   -1.604084   -0.357383
     24          1           0        3.068204   -0.208479    0.493063
     25          1           0       -0.176749   -1.018099    2.186698
     26          1           0        1.540309   -0.715601    2.447452
     27          1           0        1.016848   -2.120323    1.524992
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.564070   0.000000
     3  C    2.426008   1.558758   0.000000
     4  C    2.420697   2.459108   1.553293   0.000000
     5  C    1.557991   2.281796   2.416942   1.540717   0.000000
     6  C    2.378162   1.528377   2.417052   2.884067   2.382884
     7  C    2.415002   2.450496   2.891238   2.466397   1.536487
     8  C    2.651248   1.509240   2.590181   3.840595   3.747061
     9  O    3.492710   2.449040   3.307611   3.972091   3.562157
    10  C    1.528292   2.594675   2.967938   2.937188   2.584480
    11  C    1.531697   2.583855   3.839923   3.839387   2.590608
    12  H    2.881640   2.177662   1.090060   2.206068   3.182437
    13  H    3.371774   2.202660   1.090242   2.219058   3.174618
    14  H    3.376549   3.238516   2.212085   1.090032   2.188637
    15  H    2.858245   3.190508   2.199936   1.089081   2.191071
    16  H    2.869897   3.181277   3.905322   3.450272   2.211083
    17  H    3.380180   3.208406   3.224306   2.649541   2.216567
    18  H    2.244830   3.317078   3.404191   2.225131   1.089653
    19  H    3.568178   2.148092   2.861252   4.288723   4.410393
    20  H    2.921617   2.159862   3.533984   4.598837   4.165780
    21  H    2.958960   2.156874   2.844844   4.098178   4.185315
    22  H    2.202006   2.832188   2.619457   2.601995   2.846247
    23  H    2.166357   2.926503   3.545519   3.872600   3.524880
    24  H    2.160440   3.527635   3.861802   3.446949   2.876952
    25  H    2.205969   2.788802   4.148316   4.198435   2.881270
    26  H    2.168510   3.519088   4.572472   4.241490   2.864189
    27  H    2.167412   2.939492   4.301684   4.583844   3.529253
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.531123   0.000000
     8  C    2.555359   3.821299   0.000000
     9  O    1.204119   2.448180   2.928657   0.000000
    10  C    3.799497   3.829621   3.246706   4.889618   0.000000
    11  C    2.903338   2.930600   3.217485   3.748693   2.471556
    12  H    3.377004   3.911328   2.725287   4.211706   2.870688
    13  H    2.571767   3.214044   2.986274   3.134257   4.049254
    14  H    3.246799   2.632967   4.623989   4.174364   4.016948
    15  H    3.888678   3.434658   4.423670   5.005420   2.802309
    16  H    2.154569   1.090385   4.391726   2.799513   4.312521
    17  H    2.170192   1.090883   4.574974   2.800725   4.688595
    18  H    3.366345   2.219816   4.728681   4.503229   2.923363
    19  H    2.796379   4.235684   1.090734   2.796647   4.237217
    20  H    2.840761   4.089779   1.090843   3.032487   3.610499
    21  H    3.497390   4.593263   1.091452   3.993904   3.004563
    22  H    4.134405   4.177869   3.504578   5.230860   1.087645
    23  H    4.250877   4.575230   3.047095   5.197659   1.091444
    24  H    4.523692   4.235684   4.274680   5.653124   1.092650
    25  H    2.536846   2.620505   3.409012   3.137163   3.453457
    26  H    3.771845   3.400298   4.263278   4.665808   2.746289
    27  H    3.521194   3.886599   3.046882   4.205391   2.656813
                   11         12         13         14         15
    11  C    0.000000
    12  H    4.320796   0.000000
    13  H    4.664725   1.751752   0.000000
    14  H    4.679823   2.946676   2.395300   0.000000
    15  H    4.303815   2.360257   2.960268   1.752696   0.000000
    16  H    2.810041   4.883310   4.261642   3.628603   4.323473
    17  H    4.018363   4.291942   3.258715   2.347438   3.644671
    18  H    2.932844   4.051859   4.177667   2.698757   2.502228
    19  H    4.174326   3.023530   2.849460   4.890177   4.959994
    20  H    2.927612   3.752943   3.952560   5.393841   5.209150
    21  H    3.647485   2.547622   3.382854   4.988602   4.430245
    22  H    3.454597   2.237163   3.678868   3.654763   2.187190
    23  H    2.681158   3.276392   4.564554   4.960330   3.779622
    24  H    2.712783   3.822274   4.946183   4.451598   3.141687
    25  H    1.089341   4.816372   4.777389   4.863894   4.868353
    26  H    1.092263   5.025468   5.460306   5.047241   4.545610
    27  H    1.091209   4.585750   5.128536   5.506449   4.967311
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.756606   0.000000
    18  H    2.528403   2.747200   0.000000
    19  H    4.869988   4.800033   5.461850   0.000000
    20  H    4.402492   4.958347   5.055579   1.755782   0.000000
    21  H    5.211958   5.354447   5.086472   1.768720   1.770798
    22  H    4.862481   4.856886   3.237246   4.340386   4.133073
    23  H    4.984610   5.502967   3.933316   4.085982   3.247573
    24  H    4.551815   5.082534   2.795941   5.287459   4.511903
    25  H    2.228684   3.671069   3.293966   4.182734   2.978982
    26  H    3.101552   4.428128   2.784435   5.242005   3.991964
    27  H    3.805190   4.973578   3.929381   4.056954   2.522266
                   21         22         23         24         25
    21  H    0.000000
    22  H    3.109020   0.000000
    23  H    2.574839   1.758704   0.000000
    24  H    4.061472   1.759679   1.760146   0.000000
    25  H    4.102257   4.348125   3.678457   3.748814   0.000000
    26  H    4.585308   3.763178   3.069359   2.532049   1.762891
    27  H    3.307962   3.675291   2.400765   2.987990   1.754259
                   26         27
    26  H    0.000000
    27  H    1.760167   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.73D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        0.909392   -0.256340    0.424222
      2          6           0       -0.288665   -0.500024   -0.551274
      3          6           0       -0.053948    0.598961   -1.631490
      4          6           0        0.591339    1.776614   -0.850814
      5          6           0        0.596393    1.259663    0.600580
      6          6           0       -1.441722    0.068745    0.275102
      7          6           0       -0.867880    1.247572    1.065930
      8          6           0       -0.529238   -1.889055   -1.090275
      9          8           0       -2.580268   -0.322726    0.294255
     10          6           0        2.280642   -0.533765   -0.190909
     11          6           0        0.806031   -1.067470    1.719398
     12          1           0        0.609760    0.209736   -2.403647
     13          1           0       -0.986507    0.874939   -2.124235
     14          1           0        0.019348    2.699916   -0.943059
     15          1           0        1.598810    1.987374   -1.206735
     16          1           0       -0.984333    1.058438    2.133454
     17          1           0       -1.413117    2.164495    0.837905
     18          1           0        1.274731    1.792071    1.266719
     19          1           0       -1.431449   -1.907859   -1.702944
     20          1           0       -0.672823   -2.608440   -0.282929
     21          1           0        0.309211   -2.221656   -1.704806
     22          1           0        2.441196   -0.030030   -1.141406
     23          1           0        2.414644   -1.604083   -0.357383
     24          1           0        3.068204   -0.208478    0.493063
     25          1           0       -0.176749   -1.018099    2.186698
     26          1           0        1.540309   -0.715601    2.447452
     27          1           0        1.016849   -2.120323    1.524992
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.4525294           1.1850540           1.0991328
 Leave Link  202 at Fri Jul 16 13:10:03 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       688.1944666599 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0542507928 Hartrees.
 Nuclear repulsion after empirical dispersion term =      688.1402158671 Hartrees.
 Leave Link  301 at Fri Jul 16 13:10:05 2021, MaxMem=  5637144576 cpu:              12.4 elap:               2.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  6.44D-06  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Fri Jul 16 13:10:07 2021, MaxMem=  5637144576 cpu:              12.3 elap:               1.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Jul 16 13:10:08 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "17_camphor_STD_B3LYPDBJ-def2SVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Jul 16 13:10:09 2021, MaxMem=  5637144576 cpu:               5.6 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636859583 LenY=  5636720013
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 990000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.665655006155    
 DIIS: error= 3.13D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.665655006155     IErMin= 1 ErrMin= 3.13D-03
 ErrMax= 3.13D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.46D-03 BMatP= 8.46D-03
 IDIUse=3 WtCom= 9.69D-01 WtEn= 3.13D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.220 Goal=   None    Shift=    0.000
 GapD=    0.220 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.71D-02 MaxDP=2.46D+00              OVMax= 1.72D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.38D-02    CP:  1.38D+00
 E= -465.672707399982     Delta-E=       -0.007052393827 Rises=F Damp=F
 DIIS: error= 9.10D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.672707399982     IErMin= 2 ErrMin= 9.10D-04
 ErrMax= 9.10D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-04 BMatP= 8.46D-03
 IDIUse=3 WtCom= 9.91D-01 WtEn= 9.10D-03
 Coeff-Com:  0.343D-01 0.966D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.340D-01 0.966D+00
 Gap=     0.222 Goal=   None    Shift=    0.000
 RMSDP=7.96D-04 MaxDP=1.29D-01 DE=-7.05D-03 OVMax= 8.11D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  3.15D-04    CP:  1.40D+00  1.04D+00
 E= -465.672441075870     Delta-E=        0.000266324113 Rises=F Damp=F
 DIIS: error= 1.24D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -465.672707399982     IErMin= 2 ErrMin= 9.10D-04
 ErrMax= 1.24D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.36D-04 BMatP= 2.60D-04
 IDIUse=3 WtCom= 2.21D-01 WtEn= 7.79D-01
 Coeff-Com: -0.124D-01 0.618D+00 0.394D+00
 Coeff-En:   0.000D+00 0.664D+00 0.336D+00
 Coeff:     -0.274D-02 0.654D+00 0.349D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.19D-04 MaxDP=9.56D-03 DE= 2.66D-04 OVMax= 5.39D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.30D-05    CP:  1.40D+00  1.04D+00  7.82D-01
 E= -465.672922327192     Delta-E=       -0.000481251322 Rises=F Damp=F
 DIIS: error= 1.46D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.672922327192     IErMin= 4 ErrMin= 1.46D-04
 ErrMax= 1.46D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.48D-05 BMatP= 2.60D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.46D-03
 Coeff-Com: -0.908D-02 0.332D+00 0.199D+00 0.479D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.906D-02 0.331D+00 0.198D+00 0.480D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=5.94D-05 MaxDP=7.84D-03 DE=-4.81D-04 OVMax= 6.59D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.17D-05    CP:  1.39D+00  1.04D+00  6.96D-01  1.08D+00
 E= -465.672936666610     Delta-E=       -0.000014339418 Rises=F Damp=F
 DIIS: error= 3.55D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.672936666610     IErMin= 5 ErrMin= 3.55D-05
 ErrMax= 3.55D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.55D-07 BMatP= 1.48D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.241D-02 0.579D-01 0.375D-01 0.195D+00 0.712D+00
 Coeff:     -0.241D-02 0.579D-01 0.375D-01 0.195D+00 0.712D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=2.40D-05 MaxDP=2.33D-03 DE=-1.43D-05 OVMax= 1.75D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.33D-05    CP:  1.40D+00  1.04D+00  7.11D-01  1.06D+00  7.01D-01
 E= -465.672937317964     Delta-E=       -0.000000651355 Rises=F Damp=F
 DIIS: error= 1.05D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.672937317964     IErMin= 6 ErrMin= 1.05D-05
 ErrMax= 1.05D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.27D-07 BMatP= 7.55D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.563D-03 0.469D-02 0.505D-02 0.604D-01 0.367D+00 0.563D+00
 Coeff:     -0.563D-03 0.469D-02 0.505D-02 0.604D-01 0.367D+00 0.563D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=5.16D-06 MaxDP=3.93D-04 DE=-6.51D-07 OVMax= 6.16D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.82D-06    CP:  1.40D+00  1.04D+00  7.11D-01  1.06D+00  7.68D-01
                    CP:  7.71D-01
 E= -465.672937429507     Delta-E=       -0.000000111543 Rises=F Damp=F
 DIIS: error= 2.32D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.672937429507     IErMin= 7 ErrMin= 2.32D-06
 ErrMax= 2.32D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.10D-09 BMatP= 1.27D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.103D-03-0.149D-02-0.121D-03 0.132D-01 0.116D+00 0.260D+00
 Coeff-Com:  0.613D+00
 Coeff:     -0.103D-03-0.149D-02-0.121D-03 0.132D-01 0.116D+00 0.260D+00
 Coeff:      0.613D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.27D-06 MaxDP=8.25D-05 DE=-1.12D-07 OVMax= 1.55D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.79D-07    CP:  1.40D+00  1.04D+00  7.12D-01  1.07D+00  7.81D-01
                    CP:  7.55D-01  7.62D-01
 E= -465.672937435393     Delta-E=       -0.000000005886 Rises=F Damp=F
 DIIS: error= 5.30D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.672937435393     IErMin= 8 ErrMin= 5.30D-07
 ErrMax= 5.30D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.86D-10 BMatP= 6.10D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.844D-05-0.833D-03-0.304D-03 0.149D-02 0.246D-01 0.678D-01
 Coeff-Com:  0.218D+00 0.689D+00
 Coeff:     -0.844D-05-0.833D-03-0.304D-03 0.149D-02 0.246D-01 0.678D-01
 Coeff:      0.218D+00 0.689D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=3.01D-07 MaxDP=3.21D-05 DE=-5.89D-09 OVMax= 3.32D-06

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.98D-07    CP:  1.40D+00  1.04D+00  7.12D-01  1.07D+00  7.80D-01
                    CP:  7.61D-01  7.91D-01  8.37D-01
 E= -465.672937435534     Delta-E=       -0.000000000141 Rises=F Damp=F
 DIIS: error= 2.33D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.672937435534     IErMin= 9 ErrMin= 2.33D-07
 ErrMax= 2.33D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.42D-11 BMatP= 1.86D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.386D-05-0.237D-03-0.103D-03-0.505D-03 0.167D-02 0.103D-01
 Coeff-Com:  0.521D-01 0.365D+00 0.572D+00
 Coeff:      0.386D-05-0.237D-03-0.103D-03-0.505D-03 0.167D-02 0.103D-01
 Coeff:      0.521D-01 0.365D+00 0.572D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=8.65D-08 MaxDP=1.03D-05 DE=-1.41D-10 OVMax= 1.21D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  5.09D-08    CP:  1.40D+00  1.04D+00  7.12D-01  1.07D+00  7.80D-01
                    CP:  7.61D-01  7.86D-01  8.65D-01  7.42D-01
 E= -465.672937435572     Delta-E=       -0.000000000038 Rises=F Damp=F
 DIIS: error= 2.60D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -465.672937435572     IErMin=10 ErrMin= 2.60D-08
 ErrMax= 2.60D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.50D-13 BMatP= 4.42D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.201D-05-0.528D-04-0.180D-04-0.282D-03-0.546D-03 0.604D-03
 Coeff-Com:  0.838D-02 0.985D-01 0.203D+00 0.691D+00
 Coeff:      0.201D-05-0.528D-04-0.180D-04-0.282D-03-0.546D-03 0.604D-03
 Coeff:      0.838D-02 0.985D-01 0.203D+00 0.691D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=1.68D-08 MaxDP=2.07D-06 DE=-3.77D-11 OVMax= 1.91D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.18D-08    CP:  1.40D+00  1.04D+00  7.12D-01  1.07D+00  7.80D-01
                    CP:  7.61D-01  7.86D-01  8.72D-01  7.37D-01  8.36D-01
 E= -465.672937435547     Delta-E=        0.000000000025 Rises=F Damp=F
 DIIS: error= 9.12D-09 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=10 EnMin= -465.672937435572     IErMin=11 ErrMin= 9.12D-09
 ErrMax= 9.12D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.34D-14 BMatP= 8.50D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.608D-06-0.943D-05 0.952D-06-0.950D-04-0.294D-03-0.271D-03
 Coeff-Com:  0.743D-03 0.211D-01 0.525D-01 0.275D+00 0.651D+00
 Coeff:      0.608D-06-0.943D-05 0.952D-06-0.950D-04-0.294D-03-0.271D-03
 Coeff:      0.743D-03 0.211D-01 0.525D-01 0.275D+00 0.651D+00
 Gap=     0.220 Goal=   None    Shift=    0.000
 RMSDP=3.90D-09 MaxDP=2.21D-07 DE= 2.46D-11 OVMax= 8.83D-08

 SCF Done:  E(RB3LYP) =  -465.672937436     A.U. after   11 cycles
            NFock= 11  Conv=0.39D-08     -V/T= 2.0118
 KE= 4.602470828257D+02 PE=-2.454399566167D+03 EE= 8.403393300386D+02
 Leave Link  502 at Fri Jul 16 13:14:01 2021, MaxMem=  5637144576 cpu:            1846.0 elap:             231.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.10669943D+03

 Leave Link  801 at Fri Jul 16 13:14:01 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8166 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 2.60D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 2.59D-01 9.24D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 6.11D-02 3.50D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 1.11D-02 1.37D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 1.56D-03 5.89D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 5.91D-05 1.91D-03.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 9.41D-07 1.77D-04.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 2.46D-08 2.54D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 4.79D-10 3.57D-06.
      8 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 5.22D-12 3.01D-07.
      1 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 4.96D-14 2.48D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 4.97D-14
 Solved reduced A of dimension   108 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.119983D+03
      2  0.970602D+00  0.115067D+03
      3 -0.339226D+00  0.144844D+01  0.111361D+03
 Isotropic polarizability for W=    0.085645      115.47 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.242739D+02 -0.135783D+02  0.113578D+02
      2  -0.160515D+02  0.668641D+01 -0.875506D+01
      3  -0.822241D+01  0.689192D+01 -0.260272D+01
      4  -0.172161D+02  0.321651D+02 -0.173404D+02
      5   0.868983D+01 -0.174370D+02  0.423608D+02
      6  -0.106877D+02 -0.140351D+02 -0.435146D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.671031D-02 -0.445686D+01  0.197015D+01
      2   0.207454D+01 -0.435638D+01  0.204495D+02
      3   0.507005D+01 -0.167581D+02  0.503419D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.965417D-01 -0.528008D+01  0.112434D+02
      2   0.266795D+01 -0.665269D+01  0.505832D+02
      3  -0.363776D+01 -0.482166D+02  0.674924D+01
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.314770D+00  0.269064D+00 -0.809348D+00
      2   0.269064D+00  0.857278D+00 -0.627024D+00
      3  -0.809348D+00 -0.627024D+00 -0.487527D+00
 OR G Eigenvalues:    -1.0761     0.3304     1.4303  Iso=    -0.2282
 Eigenvectors:
   (1)   0.459660   0.215447   0.861566
   (2)   0.729872  -0.644344  -0.228271
   (3)   0.505964   0.733760  -0.453427
 w=    0.085645 a.u., Optical Rotation Beta=     -0.2282 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =      -71.08 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 9.39D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 2.50D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 3.19D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 3.27D-02 4.53D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 1.72D-03 9.63D-03.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 2.84D-05 1.01D-03.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 3.51D-07 8.03D-05.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 2.47D-09 5.73D-06.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 9.63D-12 3.37D-07.
     13 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 1.82D-14 1.04D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.89D-15
 Solved reduced A of dimension   223 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.18D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 3.18D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.13D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.119983D+03  0.970602D+00 -0.339226D+00
      2   0.970602D+00  0.115067D+03  0.144844D+01
      3  -0.339226D+00  0.144844D+01  0.111361D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.671031D-02 -0.445686D+01  0.197015D+01
      2   0.207454D+01 -0.435638D+01  0.204495D+02
      3   0.507005D+01 -0.167581D+02  0.503419D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.242739D+02 -0.135783D+02  0.113578D+02
      2  -0.160515D+02  0.668641D+01 -0.875506D+01
      3  -0.822241D+01  0.689192D+01 -0.260272D+01
      4  -0.172161D+02  0.321651D+02 -0.173404D+02
      5   0.868983D+01 -0.174370D+02  0.423608D+02
      6  -0.106877D+02 -0.140351D+02 -0.435146D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.187875D+01  0.154475D+01  0.571575D+01  0.980229D+00  0.255916D+01
      2   0.154475D+01  0.295916D+01  0.342067D+00  0.255916D+01 -0.603389D+01
      3   0.571575D+01  0.342067D+00  0.302637D+01  0.259040D-01 -0.155739D+01
                 6             7             8             9            10 
      1   0.259040D-01  0.697631D+01  0.605784D+00  0.210964D+01 -0.461108D+01
      2  -0.155739D+01  0.605784D+00 -0.153517D+01  0.408283D+01 -0.209935D+01
      3   0.310734D+01  0.210964D+01  0.408283D+01 -0.980855D+00 -0.438045D+01
                11            12            13            14            15 
      1  -0.209935D+01 -0.438045D+01 -0.263675D+01  0.745605D+00  0.209129D+01
      2   0.883665D+00  0.214839D+01  0.745605D+00  0.631295D+00  0.295979D+01
      3   0.214839D+01 -0.699527D+00  0.209129D+01  0.295979D+01 -0.395422D+01
                16            17            18            19            20 
      1  -0.444358D+01  0.212168D+01 -0.211622D+01  0.230968D+01 -0.436448D+00
      2   0.212168D+01  0.221064D+01 -0.282084D+01 -0.436448D+00 -0.134808D+01
      3  -0.211622D+01 -0.282084D+01 -0.186427D+01  0.425267D+01 -0.268040D+01
                21            22            23            24            25 
      1   0.425267D+01  0.677793D+00 -0.228876D+00 -0.374204D+01  0.275870D+01
      2  -0.268040D+01 -0.228876D+00  0.548553D+00 -0.234415D+01 -0.236582D+01
      3  -0.696782D+00 -0.374204D+01 -0.234415D+01  0.242047D+01 -0.242614D+00
                26            27            28            29            30 
      1  -0.236582D+01 -0.242614D+00 -0.381333D+01 -0.243206D+01  0.238595D+01
      2  -0.323266D+01  0.154162D+01 -0.243206D+01  0.383850D+01  0.894968D+00
      3   0.154162D+01  0.252896D+01  0.238595D+01  0.894968D+00 -0.257476D+00
                31            32            33            34            35 
      1  -0.961521D+00  0.303673D+01  0.959931D+00  0.192954D+01  0.101371D+01
      2   0.303673D+01 -0.353196D+01  0.197276D+01  0.101371D+01  0.153710D+01
      3   0.959931D+00  0.197276D+01  0.180373D+01 -0.820382D-01  0.154843D+01
                36            37            38            39            40 
      1  -0.820382D-01  0.859941D+00 -0.122365D+01 -0.406689D+01  0.222451D+00
      2   0.154843D+01 -0.122365D+01 -0.318576D+01 -0.155644D+01 -0.436897D+01
      3  -0.266562D+01 -0.406689D+01 -0.155644D+01 -0.172364D+01 -0.176278D+01
                41            42            43            44            45 
      1  -0.436897D+01 -0.176278D+01 -0.327548D+01 -0.161580D+01 -0.182015D+01
      2   0.498211D+01 -0.153780D+01 -0.161580D+01 -0.140372D+00 -0.353764D+01
      3  -0.153780D+01 -0.256244D+01 -0.182015D+01 -0.353764D+01  0.189534D+01
                46            47            48            49            50 
      1   0.805196D+01  0.327130D+01  0.263093D+00  0.313521D+01 -0.110439D+01
      2   0.327130D+01 -0.363227D+01 -0.323868D+01 -0.110439D+01 -0.691527D+00
      3   0.263093D+00 -0.323868D+01 -0.205494D+01 -0.187617D+01 -0.923066D+00
                51            52            53            54            55 
      1  -0.187617D+01  0.359704D+00 -0.137570D+01  0.108876D+00 -0.136634D+01
      2  -0.923066D+00 -0.137570D+01 -0.512998D+00  0.479462D+00 -0.105858D+01
      3   0.227589D+00  0.108876D+00  0.479462D+00  0.189158D+01  0.131880D+01
                56            57            58            59            60 
      1  -0.105858D+01  0.131880D+01 -0.158539D+01  0.369431D+01  0.106822D+01
      2   0.475793D+01  0.141588D+01  0.369431D+01 -0.308166D+01  0.139462D+01
      3   0.141588D+01  0.144480D+01  0.106822D+01  0.139462D+01  0.197688D+01
                61            62            63            64            65 
      1   0.331269D+00 -0.475986D+00  0.111958D+01  0.163056D+01  0.213231D+01
      2  -0.475986D+00  0.178843D+01  0.675213D+00  0.213231D+01 -0.198507D+00
      3   0.111958D+01  0.675213D+00 -0.559564D+01  0.484029D+01 -0.122474D+01
                66            67            68            69            70 
      1   0.484029D+01  0.135217D+01 -0.775925D+00 -0.135042D+01  0.394797D+01
      2  -0.122474D+01 -0.775925D+00 -0.260501D+00 -0.298393D+01 -0.147103D+01
      3   0.100674D+01 -0.135042D+01 -0.298393D+01  0.244544D+01  0.901275D+00
                71            72            73            74            75 
      1  -0.147103D+01  0.901275D+00 -0.165052D+02 -0.312122D+01  0.113655D+01
      2  -0.304686D+01  0.313351D+01 -0.312122D+01 -0.100116D+01  0.105920D+01
      3   0.313351D+01  0.869777D+00  0.113655D+01  0.105920D+01 -0.917013D+00
                76            77            78            79            80 
      1  -0.352583D+01 -0.344386D+01  0.585468D+00  0.369293D+00  0.215500D+00
      2  -0.344386D+01 -0.202587D+01  0.658177D+00  0.215500D+00  0.132516D+00
      3   0.585468D+00  0.658177D+00 -0.338515D+00 -0.301742D+01 -0.868184D+00
                81            82            83            84            85 
      1  -0.301742D+01 -0.113140D+01 -0.178443D+01 -0.437912D+01 -0.234980D+01
      2  -0.868184D+00 -0.178443D+01 -0.141194D+01 -0.277651D+00 -0.232868D+01
      3  -0.579910D-01 -0.437912D+01 -0.277651D+00 -0.185094D+01 -0.413556D+00
                86            87            88            89            90 
      1  -0.232868D+01 -0.413556D+00 -0.535690D+01 -0.386925D+00 -0.240289D+01
      2   0.555495D+01  0.178319D+01 -0.386925D+00  0.169405D+01 -0.274139D+01
      3   0.178319D+01 -0.284910D+01 -0.240289D+01 -0.274139D+01  0.237046D+01
                91            92            93            94            95 
      1   0.184521D+01 -0.530325D+00 -0.492059D+01 -0.884123D+00 -0.183015D+01
      2  -0.530325D+00 -0.162262D+01 -0.601232D+00 -0.183015D+01  0.562248D+01
      3  -0.492059D+01 -0.601232D+00 -0.196137D+01 -0.895032D+00  0.114551D+01
                96            97            98            99           100 
      1  -0.895032D+00 -0.444338D+01 -0.842155D+00 -0.181634D+01  0.232315D+01
      2   0.114551D+01 -0.842155D+00  0.206138D+01 -0.285465D+01 -0.353281D+00
      3  -0.339069D+01 -0.181634D+01 -0.285465D+01 -0.399616D+00 -0.239121D+01
               101           102           103           104           105 
      1  -0.353281D+00 -0.239121D+01 -0.985369D+00  0.675750D+00  0.133005D+01
      2   0.113495D+01  0.672167D+00  0.675750D+00 -0.111594D+01 -0.990335D+00
      3   0.672167D+00  0.333883D+01  0.133005D+01 -0.990335D+00 -0.259719D+01
               106           107           108           109           110 
      1  -0.178456D+01  0.458482D+00  0.218518D+01 -0.447311D+01  0.103317D+01
      2   0.458482D+00 -0.793316D+00 -0.996065D+00  0.103317D+01 -0.134279D+01
      3   0.218518D+01 -0.996065D+00 -0.656205D+01 -0.352192D+01  0.132804D+01
               111           112           113           114           115 
      1  -0.352192D+01  0.815298D+00 -0.960313D+00  0.872208D+00 -0.198822D+01
      2   0.132804D+01 -0.960313D+00  0.987567D+00 -0.938070D+00  0.760196D+00
      3  -0.374424D+01  0.872208D+00 -0.938070D+00  0.824344D+00 -0.211240D+01
               116           117           118           119           120 
      1   0.760196D+00 -0.211240D+01 -0.992266D+00  0.206544D+01 -0.649518D+00
      2  -0.562917D+00  0.736650D+00  0.206544D+01 -0.386144D+01  0.744499D+00
      3   0.736650D+00 -0.389783D+01 -0.649518D+00  0.744499D+00 -0.849806D+00
               121           122           123           124           125 
      1   0.141740D+01 -0.190883D+01  0.250864D+00 -0.332992D+00  0.286529D-01
      2  -0.190883D+01  0.898234D+01 -0.178246D+01  0.286529D-01 -0.825263D+00
      3   0.250864D+00 -0.178246D+01  0.125048D+01 -0.415731D+00  0.109881D+01
               126           127           128           129           130 
      1  -0.415731D+00  0.655468D+01  0.280739D+01 -0.220491D+01  0.146277D+01
      2   0.109881D+01  0.280739D+01  0.244077D+01 -0.124360D+01  0.143959D+01
      3  -0.388628D+00 -0.220491D+01 -0.124360D+01  0.194898D+01 -0.693002D+00
               131           132           133           134           135 
      1   0.143959D+01 -0.693002D+00 -0.183505D+01 -0.897291D+00  0.155796D+01
      2   0.193984D+01 -0.868819D+00 -0.897291D+00 -0.102922D+01  0.731620D+00
      3  -0.868819D+00  0.379677D+00  0.155796D+01  0.731620D+00 -0.132055D+01
               136           137           138           139           140 
      1  -0.227888D+00  0.173599D+00  0.129231D+01 -0.311789D+00 -0.411925D+00
      2   0.173599D+00 -0.641175D+00 -0.411843D+00 -0.411925D+00  0.326354D+00
      3   0.129231D+01 -0.411843D+00 -0.136062D+01  0.159977D+00  0.845979D+00
               141           142           143           144           145 
      1   0.159977D+00  0.161738D+01 -0.199971D+00 -0.153018D+01 -0.281346D+01
      2   0.845979D+00 -0.199971D+00  0.138676D+01  0.107036D+01  0.275577D+01
      3  -0.917871D+00 -0.153018D+01  0.107036D+01  0.930071D+01  0.263372D+00
               146           147           148           149           150 
      1   0.275577D+01  0.263372D+00  0.280998D+01 -0.318053D+01 -0.503785D+00
      2  -0.367106D+01 -0.759542D+00 -0.318053D+01  0.745403D+01  0.511095D+00
      3  -0.759542D+00 -0.817742D+00 -0.503785D+00  0.511095D+00  0.973732D+00
               151           152           153           154           155 
      1  -0.792277D+00  0.590444D+00 -0.458178D+00  0.383430D+01  0.251395D+01
      2   0.590444D+00 -0.113660D+01  0.946328D+00  0.251395D+01  0.268606D+01
      3  -0.458178D+00  0.946328D+00  0.630965D+00  0.266138D+01  0.154264D+01
               156           157           158           159           160 
      1   0.266138D+01  0.148059D+01  0.224364D+01  0.965321D+00  0.243684D+01
      2   0.154264D+01  0.224364D+01  0.305533D+01  0.194118D+01  0.146094D+01
      3   0.237578D+01  0.965321D+00  0.194118D+01  0.186896D+01  0.232481D+01
               161           162           163           164           165 
      1   0.146094D+01  0.232481D+01 -0.496780D+01 -0.185799D+01 -0.337317D+01
      2   0.213452D+01  0.253188D+01 -0.185799D+01 -0.213163D+01 -0.126029D+01
      3   0.253188D+01  0.356285D+01 -0.337317D+01 -0.126029D+01 -0.314503D+01
               166           167           168           169           170 
      1  -0.516897D+00 -0.938360D+00 -0.167724D+00 -0.290482D+01 -0.806074D+00
      2  -0.938360D+00 -0.450222D+00 -0.421561D+00 -0.806074D+00 -0.890713D+00
      3  -0.167724D+00 -0.421561D+00 -0.344470D+00 -0.250098D+01 -0.157509D+01
               171           172           173           174           175 
      1  -0.250098D+01 -0.720441D+00 -0.117338D+01  0.291478D-01 -0.888754D+00
      2  -0.157509D+01 -0.117338D+01 -0.971152D+00  0.442275D+00 -0.851369D+00
      3  -0.344082D+01  0.291478D-01  0.442275D+00 -0.402394D+00  0.328600D+00
               176           177           178           179           180 
      1  -0.851369D+00  0.328600D+00  0.592747D+00  0.851774D+00 -0.321075D+00
      2  -0.562858D+01  0.209019D+01  0.851774D+00  0.422319D+01 -0.200835D+01
      3   0.209019D+01 -0.169733D+01 -0.321075D+00 -0.200835D+01  0.266887D+01
               181           182           183           184           185 
      1   0.297127D+01 -0.161414D+01 -0.216486D+01 -0.950301D+00  0.133471D+01
      2  -0.161414D+01  0.270322D+01  0.172227D+01  0.133471D+01 -0.196165D+01
      3  -0.216486D+01  0.172227D+01  0.237832D+01  0.851247D+00 -0.975935D+00
               186           187           188           189           190 
      1   0.851247D+00 -0.193924D+01  0.103854D+01  0.147409D+01  0.995918D+00
      2  -0.975935D+00  0.103854D+01 -0.164740D+01 -0.215650D+01  0.807021D+00
      3  -0.119796D+01  0.147409D+01 -0.215650D+01 -0.326357D+01 -0.977283D+00
               191           192           193           194           195 
      1   0.807021D+00 -0.977283D+00  0.163603D+01  0.430374D+00 -0.466014D+00
      2   0.278502D+00 -0.259810D+00  0.430374D+00  0.902764D+00 -0.137180D+01
      3  -0.259810D+00  0.126348D+01 -0.466014D+00 -0.137180D+01  0.184555D+01
               196           197           198           199           200 
      1  -0.206651D+01 -0.125409D+00  0.195895D+01  0.125845D+01 -0.123887D+01
      2  -0.125409D+00 -0.159293D+01  0.158498D+01 -0.123887D+01  0.114194D+01
      3   0.195895D+01  0.158498D+01 -0.499610D+01  0.292394D-01  0.245195D+00
               201           202           203           204           205 
      1   0.292394D-01 -0.286225D+01  0.289523D+01  0.580126D+00  0.843195D-01
      2   0.245195D+00  0.289523D+01 -0.735742D+01 -0.121263D+01  0.378598D+00
      3   0.338914D+00  0.580126D+00 -0.121263D+01 -0.104332D+01  0.754736D+00
               206           207           208           209           210 
      1   0.378598D+00  0.754736D+00  0.746782D+01  0.848673D+00  0.262597D+01
      2  -0.973627D+00 -0.845749D+00  0.848673D+00  0.967564D+00  0.239384D+00
      3  -0.845749D+00 -0.746638D+00  0.262597D+01  0.239384D+00  0.167762D+01
               211           212           213           214           215 
      1   0.245352D+01  0.146182D+01  0.707348D+00  0.519833D+01  0.340348D+00
      2   0.146182D+01  0.187982D+00  0.395342D+00  0.340348D+00  0.700978D+00
      3   0.707348D+00  0.395342D+00  0.893338D+00  0.258105D+01  0.601835D+00
               216           217           218           219           220 
      1   0.258105D+01 -0.449330D+01  0.163152D-01  0.223396D+01  0.182183D+00
      2   0.601835D+00  0.163152D-01 -0.126837D+01  0.946220D+00 -0.677620D+00
      3   0.215367D+01  0.223396D+01  0.946220D+00 -0.287700D+01  0.359483D+00
               221           222           223           224           225 
      1  -0.677620D+00  0.359483D+00  0.190471D+01  0.341431D+00 -0.156156D+01
      2  -0.526925D+00  0.312342D+00  0.341431D+00  0.329929D+00 -0.164888D+00
      3   0.312342D+00  0.262290D+00 -0.156156D+01 -0.164888D+00  0.277306D+01
               226           227           228           229           230 
      1   0.352038D+01  0.150736D+00  0.339676D+01  0.116076D+01  0.839091D+00
      2   0.150736D+00  0.107228D+01 -0.407092D-01  0.839091D+00  0.930848D-01
      3   0.339676D+01 -0.407092D-01  0.404537D+01  0.100026D+01  0.678122D+00
               231           232           233           234           235 
      1   0.100026D+01  0.256491D+01  0.119301D+00  0.306328D+01  0.613550D+00
      2   0.678122D+00  0.119301D+00  0.546708D+00  0.346428D+00 -0.119672D+01
      3   0.208768D+01  0.306328D+01  0.346428D+00  0.576822D+01  0.584667D+00
               236           237           238           239           240 
      1  -0.119672D+01  0.584667D+00 -0.132761D+01  0.165378D+01 -0.265776D+00
      2   0.142341D+01 -0.188267D+00  0.165378D+01 -0.860255D+01  0.121967D+01
      3  -0.188267D+00  0.513307D+00 -0.265776D+00  0.121967D+01 -0.147441D+01
               241           242           243 
      1   0.909584D-01  0.236790D+00  0.258346D+00
      2   0.236790D+00 -0.826151D+00 -0.540624D+00
      3   0.258346D+00 -0.540624D+00 -0.234269D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.151847D+01  0.118345D+01  0.185746D+01  0.248394D+01 -0.627354D+01
      2   0.977167D+01 -0.249382D+00  0.397366D+01  0.186072D+01 -0.448716D+01
      3   0.104773D+01 -0.718001D+01 -0.216853D+01  0.802389D+00  0.765782D+01
                 6             7             8             9            10 
      1  -0.371033D+01  0.452368D+01  0.402127D+01  0.181080D+01 -0.437762D+01
      2   0.295770D+01 -0.330586D+01  0.336387D+01 -0.279581D+01 -0.236069D+01
      3   0.285631D+01 -0.253592D+01  0.307004D+01 -0.361715D+01 -0.218876D+01
                11            12            13            14            15 
      1  -0.252040D+01  0.828314D+00  0.132754D+01  0.453314D+01 -0.119020D+02
      2  -0.343483D+01  0.158280D+01 -0.373296D+01 -0.289273D+00  0.163748D+01
      3  -0.300061D+01  0.423947D+01  0.751351D+01  0.275682D+00  0.123291D+01
                16            17            18            19            20 
      1  -0.589260D+01  0.172634D-02 -0.201208D+01  0.463956D+01  0.436913D+01
      2  -0.650302D+01  0.405772D+01 -0.568713D+01  0.503699D+01 -0.125412D+01
      3   0.385389D+01  0.273189D+01 -0.491645D-02 -0.509405D+00 -0.447089D+01
                21            22            23            24            25 
      1   0.438364D+01 -0.829402D+00  0.194980D+01  0.583713D+01  0.487922D+01
      2   0.115993D+02 -0.622271D+00 -0.768763D+00 -0.816156D+01  0.387386D+01
      3   0.402229D+00  0.491552D+00 -0.226668D+00 -0.155122D+01  0.902542D+00
                26            27            28            29            30 
      1   0.104699D+02 -0.115794D+01 -0.536590D+01 -0.670174D+01 -0.117895D+01
      2  -0.788933D+01  0.766269D+00 -0.209770D+01 -0.196378D+01  0.517152D+01
      3  -0.195608D+01  0.476238D+00 -0.880558D+01 -0.128667D+02  0.614168D+01
                31            32            33            34            35 
      1  -0.604255D+01 -0.244278D+01 -0.110568D+02 -0.322849D+00 -0.532104D+01
      2  -0.497701D+00  0.502625D+01  0.319326D+01  0.507695D+00  0.232180D+01
      3  -0.358363D+01  0.123812D+02  0.527999D+00  0.544228D+01  0.171661D+01
                36            37            38            39            40 
      1   0.660932D+01  0.398495D+01  0.780700D+00  0.537684D+00  0.308828D+00
      2  -0.436213D+01 -0.577083D+01 -0.100073D+01  0.449338D+01 -0.126856D+01
      3  -0.167372D+01  0.522581D+01 -0.276454D+01 -0.415544D+01  0.611384D+01
                41            42            43            44            45 
      1   0.565212D+01  0.112000D+01 -0.688337D+00  0.872336D+01 -0.785082D+01
      2   0.199511D+01 -0.129656D+01 -0.266782D+01 -0.909004D+00  0.316495D+01
      3  -0.997001D+01 -0.152595D+01 -0.335975D+01 -0.175619D+01 -0.242538D+00
                46            47            48            49            50 
      1   0.339856D+01  0.143144D+01  0.457015D+01  0.387614D+01 -0.130006D+02
      2  -0.324579D+01  0.752996D+01 -0.239505D+01  0.615367D+01 -0.290423D+01
      3   0.232656D+00  0.138040D+01 -0.715371D+01  0.578931D+01  0.207697D+01
                51            52            53            54            55 
      1  -0.138311D+01  0.152096D+01  0.100252D+02  0.134084D+02 -0.510603D+01
      2  -0.724016D+00 -0.105565D+02  0.101356D+01  0.524431D+01  0.258947D+01
      3  -0.264800D+01 -0.698029D+01 -0.274856D+01  0.363394D+00 -0.523217D+01
                56            57            58            59            60 
      1   0.628633D+01 -0.215376D+01  0.502056D+01 -0.578755D+01 -0.626092D+01
      2   0.838905D+00 -0.396991D+01  0.928795D+00 -0.692442D+01 -0.224793D+01
      3   0.374790D+01  0.531461D+01  0.668779D+01  0.144965D+01  0.128072D+01
                61            62            63            64            65 
      1  -0.758240D+00  0.516096D+01  0.121758D+02  0.688896D+01 -0.149875D+01
      2  -0.815162D+01  0.224477D+00  0.792392D+01 -0.208607D+01  0.485544D+01
      3   0.356399D+01 -0.226728D+00  0.290658D+01 -0.205170D+01 -0.954903D+01
                66            67            68            69            70 
      1   0.385028D+01 -0.274564D+01 -0.732293D+01  0.806549D+01  0.320420D+01
      2   0.795127D+01  0.269752D+01  0.202328D+01 -0.400101D+01  0.261561D+01
      3  -0.132385D+02 -0.190680D+01  0.178551D+01  0.734265D+00 -0.106927D+02
                71            72            73            74            75 
      1   0.156220D+02 -0.241090D+01 -0.314229D+00 -0.425091D+00 -0.483915D+01
      2  -0.567320D+01  0.721688D+00  0.313475D+01  0.335511D+00  0.134252D+02
      3  -0.328107D+00  0.835575D-01 -0.323179D+01 -0.143715D+02  0.248566D+00
                76            77            78            79            80 
      1  -0.274562D+01  0.249296D+01 -0.165581D+01  0.904386D+00 -0.120419D+01
      2  -0.155296D+01  0.269734D+01  0.345766D+01  0.447868D+01  0.602252D+00
      3  -0.327773D+01 -0.751595D+01  0.228569D+00  0.496936D+00  0.718188D+00
                81            82            83            84            85 
      1  -0.489939D+01 -0.248760D+01  0.526952D-01 -0.181929D+01 -0.127273D+00
      2  -0.158000D+01 -0.122151D+02 -0.625649D+00 -0.508296D+01 -0.198099D+01
      3  -0.266396D+01  0.569190D+01  0.404552D+01  0.319868D+01  0.126036D+02
                86            87            88            89            90 
      1   0.838187D+00 -0.470610D+01 -0.422768D+01 -0.512628D+00  0.319225D+01
      2   0.594781D+01 -0.832105D+01 -0.131561D+02 -0.736711D+01  0.890953D+01
      3  -0.155698D+02 -0.628047D+01  0.464665D+01 -0.589556D+01  0.100810D+02
                91            92            93            94            95 
      1  -0.888359D+01 -0.426638D+01 -0.359535D+01 -0.623785D+01  0.165997D+02
      2  -0.108250D+02 -0.548679D+00  0.133667D+02 -0.925063D-01  0.500710D+01
      3  -0.317495D+01 -0.803768D-01  0.911465D+01  0.455458D+01 -0.405823D+01
                96            97            98            99           100 
      1  -0.576902D+01 -0.395176D+01  0.289631D+01 -0.890985D+01  0.438418D+00
      2  -0.133535D+01  0.648585D+01 -0.185923D+01  0.309252D+01  0.674790D+01
      3   0.969684D-01  0.720894D+01 -0.159327D+01  0.509926D+01  0.109867D+01
               101           102           103           104           105 
      1  -0.470122D+01 -0.210245D+01 -0.442991D+00  0.398396D+01 -0.158516D+00
      2  -0.153452D+01 -0.330764D+01 -0.270502D+01  0.142203D+01  0.177322D+01
      3  -0.139241D+01 -0.927750D+00  0.661915D+00  0.328143D+00  0.251964D+00
               106           107           108           109           110 
      1  -0.157705D+01  0.505936D+01  0.318747D+01 -0.316284D+00  0.376584D+01
      2  -0.585151D+01  0.143513D+01  0.351325D+01 -0.109990D+02  0.154310D+01
      3  -0.325187D+00  0.138192D+01  0.688247D+00 -0.310608D+01 -0.179806D+01
               111           112           113           114           115 
      1  -0.314162D+00  0.117749D+01 -0.168077D+01 -0.266331D+00  0.206253D+00
      2  -0.436899D+01  0.232521D+01 -0.177236D+01  0.191380D+01 -0.531111D+01
      3  -0.168525D+01  0.143874D+01  0.140521D+00  0.567049D+00 -0.154747D+01
               116           117           118           119           120 
      1   0.172914D+01  0.460827D+00 -0.407535D+00  0.308740D+01  0.287347D+01
      2   0.156039D+01 -0.360744D+01 -0.202964D+01  0.236637D+01  0.131308D-01
      3  -0.487403D+00 -0.144758D+01 -0.499736D+01  0.642288D+01 -0.181876D+01
               121           122           123           124           125 
      1   0.196416D+01 -0.566509D+01 -0.430366D+01  0.978000D+00  0.538433D-02
      2   0.214428D+01 -0.352500D+01  0.454132D+00 -0.142965D+01  0.101454D+01
      3   0.761954D+01 -0.103665D+02  0.149079D+01 -0.970380D+00  0.735588D+00
               126           127           128           129           130 
      1  -0.695056D+00  0.288373D+01 -0.867990D+00 -0.463821D+01  0.189178D+00
      2  -0.227031D+00  0.640915D+01  0.146060D+01  0.165668D+01  0.894784D+00
      3  -0.191089D+01  0.150695D+02  0.141575D+01 -0.382719D+01  0.280171D+01
               131           132           133           134           135 
      1   0.566832D+00 -0.837744D+00 -0.281244D+01  0.129619D+01  0.183079D+01
      2   0.708906D+00  0.127644D+00 -0.207113D+01 -0.443200D+00 -0.154767D+00
      3   0.124868D+01 -0.108552D+01 -0.408986D+01 -0.803483D+00  0.315797D+01
               136           137           138           139           140 
      1  -0.141130D+01  0.348773D+00  0.257051D+01  0.326523D+00 -0.153327D+01
      2  -0.127404D+01  0.640404D+00  0.127110D+01  0.614891D+00 -0.199409D+00
      3   0.306863D+00 -0.205247D+01  0.856390D+00 -0.887309D-01 -0.135624D+01
               141           142           143           144           145 
      1   0.372018D+01  0.264172D+01  0.139371D+01 -0.177325D+02  0.345258D+01
      2   0.214778D+01 -0.290408D+01 -0.113136D+01 -0.102233D+02  0.341756D+01
      3   0.987044D+00  0.247746D+01  0.190606D+01 -0.263771D+01 -0.121686D+01
               146           147           148           149           150 
      1  -0.663548D+01  0.117497D+00 -0.421271D+01  0.114110D+02 -0.224604D+01
      2  -0.356513D+01  0.218954D+01 -0.387443D+01  0.556242D+01 -0.996226D+00
      3  -0.216066D+01 -0.845807D+00  0.370062D+01  0.459820D+01 -0.484093D+00
               151           152           153           154           155 
      1   0.125368D+01 -0.325160D+01  0.559744D+00 -0.204452D+01  0.127813D+01
      2   0.963555D+00 -0.183062D+01  0.592687D+00 -0.203212D+01 -0.643604D+00
      3  -0.121576D+01 -0.114486D+01  0.289997D+00  0.528759D+01 -0.396489D+00
               156           157           158           159           160 
      1  -0.347281D+01 -0.316538D+00 -0.135691D+00 -0.370811D+01 -0.196152D+01
      2   0.162230D+01 -0.145740D+01 -0.284986D+00  0.132515D+01 -0.194236D+01
      3   0.294780D+01  0.284228D+01  0.644119D+00  0.458853D+00  0.377367D+01
               161           162           163           164           165 
      1   0.232831D+00 -0.403195D+01 -0.432984D+01  0.138100D+01 -0.567283D+01
      2   0.109529D+01  0.214640D+01 -0.543828D+01 -0.949094D+00  0.255889D+00
      3  -0.716242D+00  0.143304D+01  0.110570D+02 -0.213631D+00  0.649829D+01
               166           167           168           169           170 
      1   0.165935D+00 -0.254325D+00 -0.131569D+01 -0.440819D+01 -0.229633D+00
      2  -0.519945D+00 -0.106244D+01 -0.253549D-01 -0.354756D+01 -0.803107D-01
      3   0.138967D+01  0.165481D+01  0.663659D+00  0.664549D+01  0.443929D+00
               171           172           173           174           175 
      1  -0.514174D+01  0.148252D+01  0.210222D+01 -0.115878D+01  0.194674D+01
      2  -0.115370D+00 -0.595415D+00 -0.173975D+01  0.112207D+01 -0.612305D+00
      3   0.478491D+01  0.844016D+00  0.876206D+00 -0.108202D+00  0.355619D+01
               176           177           178           179           180 
      1   0.113766D+02 -0.961760D+01 -0.947633D+00 -0.881462D+01  0.113468D+02
      2  -0.281707D+01  0.209604D+01 -0.397704D+00  0.265507D+01 -0.336406D+01
      3  -0.213314D+01  0.821997D+00 -0.238648D+01  0.153831D+01 -0.117919D+01
               181           182           183           184           185 
      1  -0.260135D+01 -0.158625D+01  0.374781D+01  0.231237D+00  0.422076D+00
      2   0.730568D+01 -0.290219D+01 -0.272419D+01 -0.212629D+01  0.215712D+01
      3  -0.995967D+01  0.319735D+01  0.561602D+01  0.424600D+01 -0.329116D+01
               186           187           188           189           190 
      1  -0.273400D+01  0.187281D+01 -0.403044D+00 -0.396502D+01 -0.103960D+01
      2   0.142171D+01 -0.510668D+01  0.251758D+01  0.302680D+01 -0.224438D+01
      3  -0.245018D+01  0.586744D+01 -0.223795D+01 -0.446424D+01 -0.240186D+01
               191           192           193           194           195 
      1  -0.529433D+00  0.612351D+00 -0.108699D-01 -0.231520D+01  0.133863D+01
      2  -0.256658D+00  0.341395D+01  0.518150D+00 -0.452543D+01  0.659609D+01
      3  -0.168827D+01  0.142205D+01 -0.183207D+00 -0.448324D+01  0.494134D+01
               196           197           198           199           200 
      1   0.835138D+00  0.441641D+01 -0.376105D+01  0.314594D+00 -0.524754D+00
      2   0.949165D+00  0.599621D+01 -0.157870D+02  0.185668D+00  0.246065D+00
      3   0.614313D+00  0.640875D+01 -0.637792D+01  0.284483D+01 -0.327110D+01
               201           202           203           204           205 
      1   0.467633D+00 -0.169006D-01  0.140232D+01 -0.329492D+01  0.338518D+00
      2   0.158490D+01  0.709320D+00 -0.341541D+01 -0.401297D+01  0.839958D+00
      3  -0.606762D+00 -0.239576D+01  0.204001D+02  0.326579D+01 -0.683764D+00
               206           207           208           209           210 
      1   0.657117D+00 -0.695005D+00  0.189461D+01  0.861199D+00  0.839691D+00
      2  -0.192775D+01 -0.220024D+01  0.812272D+01  0.139527D+01  0.816338D+01
      3   0.332852D+01  0.176982D+01 -0.677435D+01 -0.565059D+01 -0.265692D+01
               211           212           213           214           215 
      1   0.734509D+00  0.704214D+00 -0.287406D+00  0.209908D+01  0.162945D+01
      2   0.206762D+01  0.106844D+01  0.345331D+01  0.568593D+01  0.189571D+01
      3  -0.384636D+01 -0.190874D+01 -0.129236D+01 -0.392042D+01 -0.354417D+01
               216           217           218           219           220 
      1   0.839752D+00  0.442646D+01 -0.339887D+01 -0.225346D+01 -0.177744D+01
      2   0.756871D+01  0.153863D+02 -0.684582D+00 -0.505183D+01 -0.670836D+00
      3  -0.336173D+01  0.821953D+01 -0.179531D+01 -0.344292D+01  0.554151D+00
               221           222           223           224           225 
      1   0.103965D+00  0.546064D-01 -0.203261D+01  0.174775D+01  0.293560D+01
      2   0.215265D+01 -0.472556D+00 -0.745427D+01 -0.504888D+00  0.460042D+01
      3   0.129810D+01 -0.763515D+00 -0.330076D+01  0.200204D+00  0.229604D+01
               226           227           228           229           230 
      1   0.495205D+01  0.392389D+01  0.512550D+01  0.282559D+01  0.171206D+01
      2  -0.498644D+01 -0.918554D+00 -0.762278D+00 -0.204702D+01 -0.840160D+00
      3  -0.402585D+01 -0.312888D+01 -0.385324D+01 -0.133354D+01 -0.144452D+01
               231           232           233           234           235 
      1   0.291226D+01  0.430048D+01  0.399475D+01  0.802728D+01 -0.159003D+01
      2   0.630509D+00 -0.547795D+01  0.368842D-01 -0.785595D-01 -0.775602D-01
      3  -0.170679D+01 -0.359748D+01 -0.181253D+01 -0.425621D+01  0.262888D+00
               236           237           238           239           240 
      1   0.280416D+01  0.817205D+00  0.309747D+01 -0.180624D+02 -0.351635D+01
      2   0.178481D+01  0.488284D+00  0.284625D+01 -0.195234D+01 -0.159088D+01
      3  -0.789776D+00 -0.236714D+00  0.323883D+01  0.687330D+01 -0.789848D+00
               241           242           243 
      1   0.510209D+00 -0.181084D+01 -0.239620D+01
      2  -0.555853D+00 -0.663051D+00 -0.916827D+00
      3   0.112634D+00  0.107113D+01  0.407683D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.945031D+01  0.359918D+01  0.132800D+02  0.454418D+01  0.758703D+01
      2  -0.963083D+00 -0.240373D+01 -0.880472D+01 -0.375905D+01 -0.162400D+01
      3   0.104134D+02 -0.119544D+01 -0.447528D+01 -0.785131D+00 -0.596303D+01
      4  -0.231450D+00  0.416828D+01 -0.498985D+01  0.571507D+01 -0.118111D+02
      5   0.118556D+02 -0.108830D+01  0.763004D+01  0.519621D+00  0.482061D+00
      6  -0.751728D+01  0.226956D+01 -0.159193D+01  0.287149D+01 -0.502039D+01
                 6             7             8             9            10 
      1  -0.411921D+01  0.172531D+02 -0.256239D+01  0.910890D+01  0.800633D+00
      2  -0.334376D+01 -0.941076D+01 -0.170241D+01 -0.466980D+01 -0.485589D+00
      3   0.746298D+01 -0.784234D+01  0.426480D+01 -0.443909D+01 -0.315044D+00
      4  -0.460253D+00 -0.440519D+01 -0.149020D+00  0.182138D+01  0.600215D+01
      5   0.564778D+01  0.903895D+01  0.500002D+01 -0.158605D+01 -0.193821D+01
      6  -0.353116D+01 -0.159314D+01 -0.403750D+01  0.260779D+01  0.688966D+01
                11            12            13            14            15 
      1   0.493424D+01  0.101735D+01  0.730549D+01 -0.803251D+00 -0.126331D+02
      2  -0.193636D+01  0.388226D+01  0.458856D-01  0.734691D+01 -0.311575D+01
      3  -0.299788D+01 -0.489960D+01 -0.735137D+01 -0.654366D+01  0.157488D+02
      4   0.278568D+01  0.313143D+01  0.400649D+00  0.164693D+01 -0.125247D+01
      5  -0.186193D+01  0.339586D+01 -0.229174D+01 -0.196290D+01 -0.360155D+01
      6  -0.133253D+01  0.773305D+00 -0.546927D+00  0.323199D+01 -0.344686D+01
                16            17            18            19            20 
      1  -0.137857D+02 -0.678182D+01 -0.224659D+01  0.653510D+01 -0.286886D+01
      2   0.538386D+01 -0.303620D+01  0.620979D+00  0.114130D+02 -0.103093D+02
      3   0.840181D+01  0.981802D+01  0.162561D+01 -0.179481D+02  0.131782D+02
      4   0.608621D+01 -0.390118D+01  0.247836D+01  0.406371D+01 -0.278402D+01
      5   0.180037D+01 -0.160744D+00  0.441746D-01 -0.917468D+01  0.312713D+01
      6   0.234835D+00  0.574389D+00  0.103090D+02  0.431152D+01 -0.944865D+00
                21            22            23            24            25 
      1  -0.839216D+01 -0.106235D+02 -0.600116D+01  0.134368D+02 -0.160092D+01
      2  -0.452441D+01 -0.684765D+01 -0.559494D+01  0.122520D+01 -0.564869D+01
      3   0.129166D+02  0.174712D+02  0.115961D+02 -0.146620D+02  0.724961D+01
      4   0.316142D+01 -0.215285D+01 -0.288860D+01 -0.186335D+01  0.136086D+01
      5  -0.200648D+02  0.513232D+01  0.248468D+01  0.108075D+02 -0.135904D+02
      6   0.986870D+01 -0.268983D+01 -0.439325D+01  0.655906D+01  0.722966D+01
                26            27            28            29            30 
      1   0.633594D+01  0.337071D+01 -0.491520D+01 -0.150520D+02  0.577275D+01
      2   0.842184D+00  0.114943D+02 -0.603301D+01  0.237520D+02  0.753963D+00
      3  -0.717813D+01 -0.148650D+02  0.109482D+02 -0.869995D+01 -0.652671D+01
      4  -0.170330D+01  0.358263D+01 -0.175365D+02 -0.115852D+02  0.117694D+02
      5   0.755479D+01  0.289906D+01  0.114010D+02  0.754226D+01 -0.292231D+01
      6   0.451033D+01 -0.441169D+01  0.144671D+02 -0.107247D+01 -0.489374D+01
                31            32            33            34            35 
      1  -0.962516D+01  0.151940D+02 -0.275319D+00  0.474887D+01  0.129242D+01
      2   0.164921D+02 -0.222226D+02  0.858336D+01  0.622415D+00  0.717812D+01
      3  -0.686690D+01  0.702859D+01 -0.830804D+01 -0.537129D+01 -0.847054D+01
      4  -0.364305D+01  0.117778D+02  0.164160D+01  0.999027D+01  0.332629D+01
      5   0.293551D+01 -0.335361D+01  0.202952D+00 -0.395860D+01  0.520401D+00
      6  -0.150900D+01  0.890229D+01  0.129049D+01 -0.307617D+01  0.286461D+01
                36            37            38            39            40 
      1  -0.754838D+01  0.869006D+00  0.393824D+01 -0.311339D+00  0.270396D+01
      2   0.579560D+01  0.143167D+01 -0.886509D+01 -0.320403D+01 -0.559045D+01
      3   0.175278D+01 -0.230067D+01  0.492685D+01  0.351537D+01  0.288649D+01
      4   0.263739D+01  0.746141D+00 -0.710584D+01 -0.109698D+02 -0.646946D+01
      5  -0.137552D+01 -0.534568D+01 -0.821976D+01 -0.918348D+01 -0.439901D+01
      6  -0.937509D+01 -0.122267D+02 -0.107985D+02 -0.359029D+01 -0.774296D+01
                41            42            43            44            45 
      1  -0.817847D+01 -0.745303D-01 -0.288766D+01 -0.971533D+00  0.252001D+01
      2   0.112645D+02 -0.766102D+00  0.317411D+00 -0.925224D+00 -0.792407D+01
      3  -0.308600D+01  0.840633D+00  0.257025D+01  0.189676D+01  0.540405D+01
      4  -0.268032D+01 -0.495412D+01 -0.874576D+01 -0.504920D+01 -0.111182D+02
      5  -0.528694D+01 -0.682239D+01 -0.744124D+01 -0.898248D+01 -0.545592D+01
      6   0.621171D+00 -0.813734D+01 -0.614454D+01 -0.111251D+02  0.206061D+01
                46            47            48            49            50 
      1  -0.536304D+02 -0.712526D+01  0.335102D+01 -0.188914D+02  0.778345D+00
      2   0.253453D+02 -0.138058D+01 -0.326549D+01  0.864815D+01 -0.336308D+01
      3   0.282850D+02  0.850583D+01 -0.855283D-01  0.102433D+02  0.258474D+01
      4  -0.137951D+02 -0.815827D+01  0.260262D+01  0.344481D+00 -0.436333D+01
      5   0.573116D+01  0.479946D+01 -0.756424D+01  0.321132D+01  0.413031D+00
      6   0.691405D+00  0.983136D+00 -0.552145D+01  0.309708D+01 -0.464349D+01
                51            52            53            54            55 
      1   0.122165D+02  0.828247D+00  0.977098D+01 -0.528382D+00  0.258705D+01
      2  -0.820229D+00  0.165631D+01 -0.506595D+01 -0.216911D+01 -0.696943D+01
      3  -0.113963D+02 -0.248455D+01 -0.470502D+01  0.269749D+01  0.438238D+01
      4   0.181699D+01 -0.739371D+00  0.345591D+01 -0.284477D+01  0.239473D+01
      5  -0.437115D+01  0.460276D+01 -0.104987D+01 -0.564286D+00 -0.183767D+01
      6  -0.227182D+01 -0.524856D+00  0.654633D+00 -0.616252D+01  0.386781D+01
                56            57            58            59            60 
      1  -0.750864D+01 -0.683513D+01  0.162611D+01 -0.182865D+01 -0.859056D+01
      2   0.168130D+02  0.192295D+01  0.936876D+01 -0.121027D+02 -0.170987D+00
      3  -0.930441D+01  0.491218D+01 -0.109949D+02  0.139313D+02  0.876155D+01
      4  -0.131417D+02  0.315021D+00 -0.861254D+01  0.178343D+02 -0.134797D+01
      5  -0.163221D+01  0.455581D-01 -0.359032D+00  0.310074D+01 -0.516892D+00
      6   0.962933D+01  0.353646D+01  0.378084D+01  0.959884D+00  0.871808D+01
                61            62            63            64            65 
      1   0.231556D+01 -0.269913D+01  0.105540D+02  0.557263D+01 -0.555225D+01
      2  -0.555328D+01  0.774890D+01  0.157412D+02  0.394702D+01  0.253804D+01
      3   0.323772D+01 -0.504977D+01 -0.262952D+02 -0.951965D+01  0.301421D+01
      4   0.318787D+01 -0.369064D+01  0.606307D+01 -0.575926D+01 -0.972301D+01
      5   0.612099D+00  0.784800D+00  0.135414D+02 -0.920937D+01 -0.848644D+01
      6   0.132001D+01  0.543160D+01 -0.902294D+01 -0.212129D+02  0.749516D+01
                66            67            68            69            70 
      1  -0.953393D+01 -0.521380D+01 -0.132795D+01 -0.239783D+01 -0.784963D+01
      2   0.113420D+02  0.128432D+01 -0.484714D+01  0.172090D+02  0.104345D+02
      3  -0.180807D+01  0.392948D+01  0.617509D+01 -0.148112D+02 -0.258482D+01
      4  -0.190997D+02 -0.611569D+01  0.162819D+01  0.874022D+01 -0.163878D+02
      5  -0.180700D+02 -0.407015D+01  0.707422D+01  0.494385D+00 -0.150646D+02
      6  -0.743847D+00  0.729415D+01  0.137508D+02 -0.624064D+01 -0.496960D+00
                71            72            73            74            75 
      1  -0.572140D+01  0.371192D+01  0.106833D+03  0.136378D+02 -0.429590D+01
      2   0.213563D+02 -0.784231D+01 -0.517687D+02 -0.379604D+01  0.294320D+01
      3  -0.156349D+02  0.413038D+01 -0.550647D+02 -0.984179D+01  0.135270D+01
      4   0.978186D+01 -0.463364D+01  0.182964D+02  0.208537D+02 -0.213644D+01
      5  -0.987119D+00 -0.146588D+01 -0.902517D+01 -0.291495D+01  0.187388D+02
      6  -0.106169D+02 -0.678967D+01 -0.516626D+01 -0.282258D+01  0.348044D+01
                76            77            78            79            80 
      1   0.168252D+02  0.139223D+02 -0.314952D+01  0.189009D+01 -0.210736D+01
      2  -0.699078D+01 -0.172003D+01  0.160997D+01  0.178320D+01  0.874046D+00
      3  -0.983438D+01 -0.122022D+02  0.153955D+01 -0.367329D+01  0.123331D+01
      4   0.248078D+02  0.129623D+02 -0.285446D+01 -0.314596D+01 -0.181166D+01
      5  -0.496067D+01 -0.346436D+01  0.512719D+01  0.210707D+02  0.484954D+01
      6  -0.354907D+01 -0.235587D+01  0.495993D+01  0.259031D+01  0.417399D+01
                81            82            83            84            85 
      1   0.108134D+02 -0.443184D+01 -0.116855D+02 -0.247373D+02 -0.172403D+02
      2  -0.990258D+01  0.480271D+01  0.862429D+01  0.130994D+02  0.147172D+02
      3  -0.910869D+00 -0.370873D+00  0.306120D+01  0.116379D+02  0.252310D+01
      4   0.415823D+01 -0.104274D+02 -0.584493D+01  0.124623D+01 -0.107089D+02
      5  -0.447811D+01 -0.252288D+02 -0.958690D+00 -0.107147D+02 -0.408063D+01
      6  -0.961457D+00  0.433772D+01  0.892382D+00  0.920405D+00  0.171244D+01
                86            87            88            89            90 
      1  -0.127671D+01 -0.611856D+00 -0.309386D+02 -0.620120D+00 -0.139329D+02
      2  -0.981278D+01 -0.269895D+01  0.158648D+02 -0.294794D+01  0.112239D+02
      3   0.110895D+02  0.331080D+01  0.150737D+02  0.356806D+01  0.270901D+01
      4   0.271120D+02  0.722610D+01 -0.952867D+00  0.697816D+01 -0.990251D+01
      5   0.743307D+01 -0.127160D+02 -0.157493D+02 -0.116994D+02  0.936625D+01
      6  -0.567457D+01  0.126292D+01  0.829896D+00  0.152513D+01 -0.859254D+00
                91            92            93            94            95 
      1   0.109234D+02 -0.241595D+01 -0.844406D+01 -0.380132D+01  0.388331D+01
      2   0.113678D+02  0.843951D+01  0.138339D+02  0.113630D+02 -0.243662D+02
      3  -0.222911D+02 -0.602355D+01 -0.538981D+01 -0.756168D+01  0.204829D+02
      4  -0.578996D+01 -0.200717D+01  0.677587D+01 -0.274340D+01  0.148568D+02
      5  -0.350027D+01 -0.226626D+01 -0.231308D+02 -0.505492D+01 -0.311277D+01
      6   0.517508D+01 -0.266993D+01 -0.312699D+01 -0.422515D+01  0.122845D+02
                96            97            98            99           100 
      1   0.545870D+01 -0.810317D+01  0.680819D+01 -0.955688D+01 -0.178325D+01
      2   0.796915D+01  0.135532D+02  0.583192D+00  0.142160D+02 -0.939766D+01
      3  -0.134278D+02 -0.544999D+01 -0.739138D+01 -0.465915D+01  0.111809D+02
      4   0.163191D+01  0.578496D+01  0.401383D+01 -0.259210D+01 -0.114549D+01
      5  -0.100103D+02 -0.209870D+02 -0.695720D+01 -0.979473D+01 -0.105318D+02
      6   0.822298D+01 -0.140086D+01  0.977519D+01 -0.992507D+01 -0.121068D+00
               101           102           103           104           105 
      1  -0.231617D+00  0.724596D+01  0.273809D+01 -0.291653D+01 -0.803790D+01
      2   0.385853D+01  0.116248D+02  0.344613D+01 -0.176299D+01 -0.661573D+01
      3  -0.362691D+01 -0.188708D+02 -0.618423D+01  0.467953D+01  0.146536D+02
      4   0.212666D+01 -0.211028D+00  0.170675D+01 -0.106332D+01 -0.130339D+01
      5   0.215422D+01  0.152051D+02  0.276142D+01 -0.385013D+01 -0.467028D+01
      6  -0.438257D+01 -0.938522D+00 -0.259760D+01  0.519174D+01  0.621285D+01
               106           107           108           109           110 
      1   0.456001D+01 -0.238849D+01 -0.176939D+02  0.341523D+01  0.191045D+01
      2   0.780473D+01 -0.351521D+01 -0.222680D+02 -0.120501D+02  0.123076D+01
      3  -0.123647D+02  0.590371D+01  0.399619D+02  0.863482D+01 -0.314121D+01
      4  -0.252815D+00 -0.124983D+01 -0.112595D+01 -0.921554D+01  0.553553D+01
      5   0.114935D+02 -0.327117D+01 -0.143532D+02  0.224263D+02 -0.523809D+01
      6  -0.961482D+00  0.539981D+01  0.119268D+01 -0.756219D+01  0.733237D+01
               111           112           113           114           115 
      1  -0.259023D+01  0.146180D+01 -0.167315D+01  0.215508D+01 -0.204690D+01
      2  -0.104050D+02  0.102807D+01  0.138577D+01  0.788209D-01 -0.636487D+01
      3   0.129952D+02 -0.248987D+01  0.287375D+00 -0.223390D+01  0.841177D+01
      4  -0.704346D+01  0.577376D+01 -0.270948D+01  0.371285D+01 -0.413673D+01
      5   0.203022D+02 -0.442617D+01  0.441744D+01 -0.472634D+01  0.132159D+02
      6  -0.927236D+01  0.560635D+01 -0.562853D+01  0.735780D+01 -0.597459D+01
               116           117           118           119           120 
      1   0.167677D+01 -0.709187D+01 -0.305699D+01  0.118165D+02 -0.374919D+01
      2   0.365808D+00 -0.120302D+02  0.894629D+01 -0.212128D+02  0.275068D+01
      3  -0.204257D+01  0.191221D+02 -0.588931D+01  0.939631D+01  0.998512D+00
      4   0.203697D+01 -0.511732D+01 -0.566010D+01  0.117931D+02 -0.314024D+01
      5  -0.415142D+01  0.139225D+02  0.127542D+01 -0.385019D+01  0.227934D+01
      6   0.495684D+01 -0.808699D+01 -0.540490D+01  0.857309D+01 -0.502426D+01
               121           122           123           124           125 
      1   0.683536D+01 -0.308470D+02  0.630378D+01 -0.136730D+01  0.374044D+01
      2  -0.113321D+02  0.557232D+02 -0.836122D+01  0.998835D-01 -0.314599D+01
      3   0.449675D+01 -0.248762D+02  0.205744D+01  0.126741D+01 -0.594446D+00
      4   0.874527D+01 -0.779539D+01  0.620833D+00 -0.164306D+01  0.394271D+00
      5  -0.296506D+01  0.246014D+01 -0.628749D+00  0.198460D+01 -0.685628D+00
      6   0.353873D+01 -0.206731D+02  0.107628D+02 -0.250394D+01  0.104043D+02
               126           127           128           129           130 
      1  -0.506444D+01  0.178678D+02  0.291314D+01 -0.192467D+01  0.132194D+01
      2   0.511179D+01 -0.278494D+01  0.501604D+01  0.614633D+00  0.331827D+01
      3  -0.473479D-01 -0.150829D+02 -0.792918D+01  0.131004D+01 -0.464022D+01
      4  -0.228361D+01  0.303361D+02  0.193217D+02 -0.110555D+02  0.120076D+02
      5   0.106423D+01 -0.183677D+02 -0.877430D+01  0.102146D+02 -0.420619D+01
      6  -0.351878D+01 -0.136774D+02 -0.965157D+01  0.105068D+02 -0.546601D+01
               131           132           133           134           135 
      1  -0.113607D+01  0.751693D+00 -0.194451D+01  0.907652D+00  0.891428D+00
      2   0.824103D+01 -0.316294D+01  0.192464D+01 -0.234677D+01 -0.305468D+01
      3  -0.710497D+01  0.241124D+01  0.198641D-01  0.143911D+01  0.216326D+01
      4   0.927809D+01 -0.455042D+01 -0.854573D+01 -0.544983D+01  0.713839D+01
      5  -0.432018D+01  0.260726D+01  0.102914D+02  0.465373D+01 -0.711652D+01
      6  -0.747824D+01  0.447149D+01  0.833505D+01  0.672905D+01 -0.699965D+01
               136           137           138           139           140 
      1  -0.105963D+01  0.111524D+01 -0.149175D+00  0.187219D+01 -0.314644D+01
      2  -0.398682D+01 -0.121483D+01  0.439051D+01 -0.280892D+01  0.829839D+00
      3   0.504645D+01  0.995972D-01 -0.424134D+01  0.936729D+00  0.231660D+01
      4  -0.131516D+01  0.417826D+01  0.374663D+01  0.131781D+01 -0.243191D+01
      5  -0.502008D+01  0.147341D+01  0.104933D+02 -0.197310D+01 -0.216853D+01
      6   0.222730D+01 -0.226993D+01 -0.272940D+01 -0.127104D+01  0.193611D+01
               141           142           143           144           145 
      1   0.300872D-02 -0.813403D+00 -0.524726D+01 -0.238396D+02  0.567181D+01
      2   0.578378D+01  0.528959D+01  0.571773D+00 -0.225223D+02  0.578565D+01
      3  -0.578679D+01 -0.447618D+01  0.467548D+01  0.463619D+02 -0.114575D+02
      4  -0.135204D+01  0.375683D+01 -0.293195D+01 -0.698510D+01 -0.169278D+02
      5   0.319367D+01  0.918257D+01 -0.325152D+01 -0.209344D+02 -0.410603D+01
      6   0.474273D+01 -0.411842D+01  0.854218D+01  0.211378D+02  0.391489D+01
               146           147           148           149           150 
      1   0.145221D+00  0.153716D+01  0.191473D+00 -0.126753D+02 -0.174413D+01
      2  -0.112600D+02 -0.138324D+01 -0.109684D+02  0.348776D+02  0.163133D+01
      3   0.111148D+02 -0.153927D+00  0.107769D+02 -0.222022D+02  0.112794D+00
      4   0.214925D+02  0.336257D+01  0.177447D+02 -0.288681D+02 -0.294083D+01
      5   0.581497D+01  0.392818D+01  0.435348D+01 -0.450423D+01 -0.313727D+01
      6  -0.684020D+01 -0.409453D+01 -0.594013D+01  0.122293D+02  0.641349D+01
               151           152           153           154           155 
      1   0.237106D+01 -0.360227D+00 -0.353722D+01  0.555442D+01 -0.425267D+00
      2   0.976345D+00 -0.547902D+01  0.166658D+01 -0.421803D+00  0.538199D+01
      3  -0.334740D+01  0.583924D+01  0.187065D+01 -0.513261D+01 -0.495672D+01
      4  -0.354311D+01  0.426974D+01 -0.416731D+01  0.162044D+02  0.151689D+02
      5   0.150544D+01 -0.267026D+01 -0.146373D+01  0.140351D+02  0.871363D+01
      6  -0.236104D+01  0.482648D+01  0.224766D+01  0.111594D+02  0.956877D+01
               156           157           158           159           160 
      1   0.117247D+01 -0.173834D+01 -0.541375D+01 -0.363991D+01  0.477888D+00
      2  -0.107893D+01  0.565275D+01  0.112702D+02  0.469587D+01 -0.148317D+01
      3  -0.935448D-01 -0.391441D+01 -0.585642D+01 -0.105596D+01  0.100528D+01
      4   0.109278D+02  0.120991D+02  0.130322D+02  0.792017D+01  0.961681D+01
      5   0.121270D+02  0.583385D+01  0.769681D+01  0.573054D+01  0.118122D+02
      6   0.960369D+01  0.785254D+01  0.119769D+02  0.122319D+02  0.959489D+01
               161           162           163           164           165 
      1  -0.427955D+01 -0.546642D+01  0.902406D+01 -0.171051D+01  0.166105D+01
      2   0.341408D+01 -0.172578D+00 -0.920414D+01  0.477644D+01 -0.775296D+01
      3   0.865474D+00  0.563900D+01  0.180079D+00 -0.306592D+01  0.609190D+01
      4   0.884722D+01  0.107349D+02  0.208195D+02  0.126229D+02  0.145278D+02
      5   0.809887D+01  0.132891D+02  0.214799D+02  0.801310D+01  0.184872D+02
      6   0.143572D+02  0.161804D+02  0.145047D+02  0.901747D+01  0.132482D+02
               166           167           168           169           170 
      1  -0.950039D+00 -0.585951D+00 -0.108776D+01  0.188869D+01 -0.235878D+01
      2   0.348686D+01  0.225026D+01  0.166596D+01 -0.747709D+01 -0.135470D+00
      3  -0.253682D+01 -0.166431D+01 -0.578195D+00  0.558840D+01  0.249425D+01
      4   0.639014D+01  0.508312D+01  0.309835D+01  0.121918D+02  0.496113D+01
      5   0.193596D+01  0.357687D+01  0.114024D+01  0.157244D+02  0.499596D+01
      6   0.395464D+01  0.290257D+01  0.530124D+01  0.101192D+02  0.102172D+02
               171           172           173           174           175 
      1  -0.395712D+01 -0.660924D+00  0.926096D-01  0.549165D+00 -0.544372D+00
      2  -0.636756D+01  0.337860D+01  0.440049D+01 -0.276007D+01  0.482044D+01
      3   0.103247D+02 -0.271768D+01 -0.449310D+01  0.221091D+01 -0.427607D+01
      4   0.101172D+02  0.452577D+01  0.897391D+01 -0.131351D+01  0.751634D+01
      5   0.151445D+02  0.489908D+00  0.489852D+00  0.372994D+01  0.421830D+00
      6   0.145545D+02  0.415283D+00 -0.157696D+01  0.159192D+01 -0.147931D+01
               176           177           178           179           180 
      1  -0.142408D+02  0.432901D+01  0.466741D+00  0.916495D+01 -0.376007D+01
      2   0.356752D+02 -0.135615D+02 -0.391906D+01 -0.233757D+02  0.100748D+02
      3  -0.214344D+02  0.923249D+01  0.345232D+01  0.142108D+02 -0.631470D+01
      4   0.967848D+01 -0.407410D+01 -0.431795D+01 -0.787990D+01  0.363194D+01
      5  -0.243320D+01  0.164706D+01  0.240480D+01  0.235223D+01 -0.275582D+01
      6  -0.637832D+01  0.924029D+01  0.119787D+01  0.860092D+01 -0.121868D+02
               181           182           183           184           185 
      1  -0.308761D+01  0.953756D+01  0.908844D+01  0.474028D+01 -0.859143D+01
      2   0.414262D+00 -0.103263D+02 -0.230817D+01 -0.535812D+01  0.106184D+02
      3   0.267335D+01  0.788780D+00 -0.678027D+01  0.617845D+00 -0.202700D+01
      4  -0.138426D+02  0.896150D+01  0.999125D+01  0.633909D+01 -0.690902D+01
      5  -0.958757D+01  0.572142D+01  0.893943D+01  0.292688D+01 -0.465469D+01
      6   0.115195D+02 -0.132158D+02 -0.134984D+02 -0.703917D+01  0.966652D+01
               186           187           188           189           190 
      1  -0.600410D+01  0.598975D+01 -0.864087D+01 -0.120248D+02  0.647543D+01
      2   0.386657D+01 -0.141282D+01  0.401022D+01  0.104422D+01 -0.557491D+01
      3   0.213753D+01 -0.457693D+01  0.463065D+01  0.109805D+02 -0.900521D+00
      4  -0.517845D+01  0.893807D+01 -0.548605D+01 -0.620390D+01  0.351613D+01
      5  -0.256951D+01  0.821086D+01 -0.306919D+01 -0.594207D+01 -0.563707D+01
      6   0.104492D+02 -0.818455D+01  0.147413D+02  0.176730D+02 -0.919825D+00
               191           192           193           194           195 
      1   0.418484D+01 -0.413061D+01  0.926725D+01 -0.805595D-01 -0.144252D+01
      2  -0.282859D+01  0.450576D+01 -0.602273D+01  0.754211D+00  0.293165D+01
      3  -0.135625D+01 -0.375148D+00 -0.324452D+01 -0.673651D+00 -0.148913D+01
      4   0.276500D+01 -0.203902D+01  0.356031D+01  0.345734D+01 -0.609900D+01
      5  -0.294339D+01  0.105571D+02 -0.400513D+01 -0.603098D+01  0.933811D+01
      6  -0.522759D+00 -0.822086D-01 -0.427302D+00 -0.160559D+01  0.213664D+01
               196           197           198           199           200 
      1  -0.976989D+01  0.704911D-01  0.477538D+01  0.634810D+01 -0.523281D+01
      2   0.771122D+01  0.251473D+01 -0.124174D+02 -0.160770D+00  0.126968D+00
      3   0.205867D+01 -0.258522D+01  0.764200D+01 -0.618733D+01  0.510584D+01
      4  -0.622055D+00 -0.763675D+01  0.650007D+01 -0.782218D+01  0.115295D+02
      5   0.149536D+02  0.754354D+01 -0.255037D+02  0.324004D+00  0.257518D+01
      6  -0.110710D+01  0.297692D+01  0.846009D+00  0.140402D+01 -0.124674D+01
               201           202           203           204           205 
      1   0.842096D+00 -0.100188D+02 -0.244574D+01  0.388261D+00  0.145768D+01
      2  -0.713725D+00 -0.178443D+01  0.204741D+02  0.174539D+01 -0.102832D+01
      3  -0.128371D+00  0.118032D+02 -0.180283D+02 -0.213365D+01 -0.429366D+00
      4   0.227209D+01  0.207618D+02 -0.382651D+02 -0.595933D+01  0.294348D+01
      5   0.316889D+01  0.404152D+01 -0.539637D+01 -0.559335D+01  0.570021D+01
      6  -0.850089D+00 -0.245869D+01  0.721846D+01  0.621221D+01 -0.229084D+01
               206           207           208           209           210 
      1  -0.161054D+00  0.792423D+00  0.510999D+02  0.620843D+01  0.165367D+02
      2   0.160203D+01  0.413464D+00 -0.277436D+02 -0.376423D+01 -0.978987D+01
      3  -0.144098D+01 -0.120589D+01 -0.233563D+02 -0.244420D+01 -0.674686D+01
      4  -0.510118D+01 -0.409683D+01  0.278178D+01  0.765481D+01  0.102689D+01
      5  -0.430655D+01 -0.369108D+01  0.194393D+02  0.216166D+01  0.137292D+02
      6   0.599628D+01  0.244469D+01 -0.188842D+01  0.507017D+00 -0.125500D+01
               211           212           213           214           215 
      1   0.146014D+02  0.610527D+01  0.360353D+01  0.294346D+02  0.226663D+01
      2  -0.846209D+01 -0.160163D+01 -0.198258D+01 -0.172147D+02 -0.136861D+01
      3  -0.613934D+01 -0.450364D+01 -0.162094D+01 -0.122199D+02 -0.898023D+00
      4   0.104161D+02  0.203389D+01  0.318234D+01  0.639611D+00  0.524735D+01
      5   0.540264D+01  0.312042D+01  0.580392D+01  0.201538D+02  0.346800D+01
      6   0.108221D+01  0.141660D+01  0.156656D+01 -0.120748D+01  0.163712D+01
               216           217           218           219           220 
      1   0.125113D+02 -0.531115D+01 -0.406150D+01  0.111152D+02 -0.966347D+00
      2  -0.106709D+02 -0.440893D+01  0.115141D+01  0.355766D+01 -0.365787D+00
      3  -0.184043D+01  0.972008D+01  0.291010D+01 -0.146729D+02  0.133213D+01
      4   0.256725D+01  0.948047D+01  0.218949D+01 -0.506681D+01  0.234101D+01
      5   0.154146D+02 -0.159513D+02 -0.160512D+00  0.995685D+01  0.438301D+00
      6  -0.120476D+01 -0.361466D+01 -0.681643D+01  0.873418D+01 -0.343382D+01
               221           222           223           224           225 
      1  -0.243708D+01  0.611494D+00  0.697591D+01  0.136389D+01 -0.888296D+01
      2   0.331441D+01 -0.237938D+01  0.222925D+01 -0.565162D+00 -0.752075D+01
      3  -0.877335D+00  0.176788D+01 -0.920516D+01 -0.798728D+00  0.164037D+02
      4   0.925386D-02 -0.106569D+01 -0.434511D+01 -0.139015D+01  0.380415D+01
      5  -0.234697D+01  0.240578D+01  0.101707D+02  0.150361D+01 -0.599552D+01
      6  -0.231827D+01  0.259355D+01  0.412508D+01  0.324556D+01 -0.548403D+01
               226           227           228           229           230 
      1   0.800630D+01  0.190382D+01  0.153961D+01  0.295859D+01 -0.413233D+00
      2  -0.169743D+02 -0.321386D+01 -0.175060D+02 -0.648965D+01 -0.541325D+00
      3   0.896800D+01  0.131004D+01  0.159664D+02  0.353106D+01  0.954558D+00
      4  -0.389195D+01  0.392238D+01 -0.453630D+01  0.244025D+01  0.114464D+00
      5   0.231541D+02  0.808145D+00  0.253269D+02  0.714294D+01  0.486731D+01
      6  -0.218915D+01  0.542416D+01 -0.377286D+01  0.381880D+01  0.152737D+01
               231           232           233           234           235 
      1  -0.158242D+01  0.123354D+01  0.393930D-01 -0.692789D+01 -0.219529D+00
      2  -0.809542D+01 -0.141919D+02 -0.231939D+01 -0.239839D+02  0.210670D+01
      3   0.967784D+01  0.129584D+02  0.228000D+01  0.309118D+02 -0.188717D+01
      4   0.218204D+01 -0.372363D+01  0.203257D+01 -0.282669D+01 -0.483620D+01
      5   0.828943D+01  0.203286D+02  0.151541D+01  0.264455D+02  0.251046D+01
      6   0.394736D+01 -0.225183D+01  0.471868D+01 -0.453057D+01 -0.338469D+01
               236           237           238           239           240 
      1  -0.772953D+00 -0.676015D-01 -0.269573D-01 -0.181622D+02  0.516717D+01
      2  -0.424476D+01 -0.149896D+01 -0.559757D+01  0.389563D+02 -0.199031D+01
      3   0.501772D+01  0.156656D+01  0.562453D+01 -0.207941D+02 -0.317686D+01
      4   0.937306D+01 -0.180694D+01  0.100011D+02 -0.197488D+02  0.314324D+01
      5  -0.355098D+01  0.475612D+01 -0.426578D+01  0.575905D+01 -0.307197D+01
      6   0.447136D+01 -0.127823D+01  0.542751D+01 -0.261981D+02  0.103357D+02
               241           242           243 
      1  -0.557944D+00  0.496611D+00 -0.123111D+01
      2  -0.172047D+01  0.390209D+01  0.187249D+01
      3   0.227842D+01 -0.439870D+01 -0.641378D+00
      4   0.101046D+01 -0.191465D+01 -0.133700D+01
      5   0.251674D+01 -0.627705D+00  0.100596D+01
      6  -0.408396D+00  0.398673D+01 -0.286490D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 16 13:59:17 2021, MaxMem=  5637144576 cpu:           21620.4 elap:            2714.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.13407 -10.27085 -10.20597 -10.19998 -10.19742
 Alpha  occ. eigenvalues --  -10.19393 -10.19117 -10.18967 -10.18217 -10.18206
 Alpha  occ. eigenvalues --  -10.17711  -1.03765  -0.88941  -0.77105  -0.76460
 Alpha  occ. eigenvalues --   -0.73868  -0.68406  -0.66771  -0.64174  -0.58634
 Alpha  occ. eigenvalues --   -0.54367  -0.50446  -0.49298  -0.49081  -0.47316
 Alpha  occ. eigenvalues --   -0.45151  -0.43015  -0.42072  -0.41407  -0.40695
 Alpha  occ. eigenvalues --   -0.40322  -0.39345  -0.38890  -0.38100  -0.36780
 Alpha  occ. eigenvalues --   -0.35430  -0.35118  -0.34198  -0.33077  -0.32118
 Alpha  occ. eigenvalues --   -0.30566  -0.24426
 Alpha virt. eigenvalues --   -0.02440   0.00940   0.02938   0.03312   0.03595
 Alpha virt. eigenvalues --    0.05775   0.06348   0.06412   0.06700   0.07525
 Alpha virt. eigenvalues --    0.09290   0.09613   0.09971   0.10473   0.10696
 Alpha virt. eigenvalues --    0.10909   0.12206   0.12659   0.13066   0.14347
 Alpha virt. eigenvalues --    0.14572   0.15347   0.15742   0.16399   0.16631
 Alpha virt. eigenvalues --    0.17402   0.17857   0.18662   0.19768   0.19788
 Alpha virt. eigenvalues --    0.20365   0.21083   0.21917   0.22670   0.23870
 Alpha virt. eigenvalues --    0.24006   0.25007   0.25497   0.26818   0.27036
 Alpha virt. eigenvalues --    0.27972   0.28201   0.28732   0.29252   0.30034
 Alpha virt. eigenvalues --    0.30505   0.30676   0.31100   0.31624   0.32013
 Alpha virt. eigenvalues --    0.32190   0.32632   0.32941   0.33810   0.34210
 Alpha virt. eigenvalues --    0.34605   0.35154   0.35576   0.36067   0.36328
 Alpha virt. eigenvalues --    0.37022   0.37135   0.37317   0.37575   0.38434
 Alpha virt. eigenvalues --    0.38681   0.39094   0.39205   0.39512   0.39830
 Alpha virt. eigenvalues --    0.40383   0.40709   0.41330   0.42191   0.42455
 Alpha virt. eigenvalues --    0.43607   0.43734   0.43893   0.44697   0.45155
 Alpha virt. eigenvalues --    0.45649   0.46118   0.47653   0.47898   0.48744
 Alpha virt. eigenvalues --    0.49393   0.49508   0.50119   0.50590   0.51334
 Alpha virt. eigenvalues --    0.51451   0.51977   0.52271   0.52659   0.53383
 Alpha virt. eigenvalues --    0.53957   0.54410   0.54618   0.55093   0.55670
 Alpha virt. eigenvalues --    0.55979   0.56334   0.56924   0.57284   0.58799
 Alpha virt. eigenvalues --    0.58845   0.59315   0.59626   0.60669   0.60909
 Alpha virt. eigenvalues --    0.61263   0.62420   0.62958   0.63124   0.63858
 Alpha virt. eigenvalues --    0.64499   0.64909   0.65892   0.67073   0.67843
 Alpha virt. eigenvalues --    0.68217   0.68385   0.68944   0.69854   0.70513
 Alpha virt. eigenvalues --    0.70828   0.72757   0.73718   0.74859   0.75166
 Alpha virt. eigenvalues --    0.75812   0.77754   0.78103   0.78887   0.79756
 Alpha virt. eigenvalues --    0.80068   0.81324   0.83056   0.83819   0.84195
 Alpha virt. eigenvalues --    0.85288   0.86035   0.87084   0.88449   0.89203
 Alpha virt. eigenvalues --    0.90453   0.92462   0.93246   0.95893   0.96281
 Alpha virt. eigenvalues --    0.97101   0.98520   0.99125   0.99461   1.00314
 Alpha virt. eigenvalues --    1.00980   1.01500   1.01957   1.02709   1.02793
 Alpha virt. eigenvalues --    1.03970   1.04551   1.06109   1.07106   1.07571
 Alpha virt. eigenvalues --    1.09055   1.09558   1.10678   1.11387   1.14407
 Alpha virt. eigenvalues --    1.15684   1.16277   1.19042   1.21009   1.21752
 Alpha virt. eigenvalues --    1.25370   1.27579   1.28328   1.29267   1.29922
 Alpha virt. eigenvalues --    1.31674   1.32692   1.34847   1.35721   1.36254
 Alpha virt. eigenvalues --    1.37786   1.38960   1.40882   1.43184   1.46362
 Alpha virt. eigenvalues --    1.47077   1.47574   1.50233   1.51089   1.51900
 Alpha virt. eigenvalues --    1.54240   1.56026   1.58242   1.58798   1.60409
 Alpha virt. eigenvalues --    1.63179   1.65510   1.66913   1.68295   1.69618
 Alpha virt. eigenvalues --    1.71797   1.72235   1.74631   1.76327   1.77000
 Alpha virt. eigenvalues --    1.78585   1.79812   1.80770   1.81686   1.82649
 Alpha virt. eigenvalues --    1.84546   1.85445   1.87677   1.88776   1.89178
 Alpha virt. eigenvalues --    1.90300   1.91063   1.92631   1.93472   1.94169
 Alpha virt. eigenvalues --    1.95492   1.96237   1.97244   1.99570   2.01318
 Alpha virt. eigenvalues --    2.01700   2.02680   2.03950   2.05130   2.06286
 Alpha virt. eigenvalues --    2.07276   2.08359   2.09758   2.10930   2.12267
 Alpha virt. eigenvalues --    2.12556   2.16658   2.16722   2.17351   2.19683
 Alpha virt. eigenvalues --    2.20079   2.21399   2.21926   2.24918   2.26444
 Alpha virt. eigenvalues --    2.27436   2.28366   2.30185   2.32036   2.33897
 Alpha virt. eigenvalues --    2.34048   2.36931   2.38684   2.40068   2.40588
 Alpha virt. eigenvalues --    2.41679   2.43456   2.44525   2.47810   2.48275
 Alpha virt. eigenvalues --    2.51381   2.51849   2.52967   2.57311   2.57710
 Alpha virt. eigenvalues --    2.61531   2.62405   2.63693   2.63851   2.65636
 Alpha virt. eigenvalues --    2.67386   2.69308   2.69876   2.71394   2.74183
 Alpha virt. eigenvalues --    2.75621   2.79140   2.80600   2.81649   2.83724
 Alpha virt. eigenvalues --    2.86738   2.94460   2.95497   2.95970   2.99848
 Alpha virt. eigenvalues --    3.02144   3.03212   3.06625   3.09004   3.10496
 Alpha virt. eigenvalues --    3.11434   3.13111   3.15381   3.16996   3.18161
 Alpha virt. eigenvalues --    3.21199   3.21588   3.24571   3.25622   3.26210
 Alpha virt. eigenvalues --    3.28776   3.33407   3.48830   3.91079
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C   18.796426  -1.140199  -0.334455  -0.061806  -1.464032  -0.571250
     2  C   -1.140199  13.983934  -0.305889   0.254327  -0.216421  -1.077122
     3  C   -0.334455  -0.305889   5.672468  -0.016248   0.106872   0.047583
     4  C   -0.061806   0.254327  -0.016248   5.039307   0.064084  -0.181436
     5  C   -1.464032  -0.216421   0.106872   0.064084   6.540618   0.152086
     6  C   -0.571250  -1.077122   0.047583  -0.181436   0.152086   7.140658
     7  C   -0.106702  -0.111321  -0.106622   0.116617   0.037049  -0.055538
     8  C   -0.194627  -2.316969   0.003744  -0.030404   0.077365   0.126491
     9  O    0.036258  -0.101104   0.005082   0.015203  -0.008834  -0.291167
    10  C   -2.207155  -0.062417  -0.036555  -0.076225   0.005916   0.143694
    11  C   -1.930678   0.119236   0.029124   0.050483   0.098948  -0.175788
    12  H   -0.063425   0.022851  -0.066244  -0.134928  -0.047112  -0.063458
    13  H   -0.004303  -0.000532  -0.154959  -0.090454   0.072473   0.054820
    14  H    0.064302  -0.044838   0.091693  -0.110573  -0.024440  -0.021948
    15  H   -0.089018  -0.050036  -0.139499   0.292904  -0.018111   0.043499
    16  H    0.049900  -0.050867  -0.024029   0.032361  -0.056840  -0.077906
    17  H    0.018744  -0.088347   0.017288  -0.062717   0.028109   0.158790
    18  H   -0.651502  -0.104175   0.012681  -0.201391  -0.001982  -0.018235
    19  H    0.032991   0.384639  -0.019886   0.000878  -0.009349   0.023648
    20  H   -0.142617   0.293945  -0.007182   0.000187   0.006322   0.023046
    21  H   -0.042966   0.241495  -0.010491   0.000627   0.001752  -0.027378
    22  H    0.003336  -0.049790  -0.033596  -0.027954  -0.043045   0.025085
    23  H    0.388752  -0.112196  -0.008984   0.003288   0.001836  -0.003200
    24  H    0.200309   0.009268   0.015126  -0.023521   0.055457  -0.015674
    25  H    0.197271  -0.133090   0.001060   0.002961  -0.049973  -0.010751
    26  H    0.088995  -0.007686   0.000053  -0.005071   0.068512   0.003581
    27  H    0.382187  -0.081395  -0.000231  -0.000399  -0.008959   0.070174
               7          8          9         10         11         12
     1  C   -0.106702  -0.194627   0.036258  -2.207155  -1.930678  -0.063425
     2  C   -0.111321  -2.316969  -0.101104  -0.062417   0.119236   0.022851
     3  C   -0.106622   0.003744   0.005082  -0.036555   0.029124  -0.066244
     4  C    0.116617  -0.030404   0.015203  -0.076225   0.050483  -0.134928
     5  C    0.037049   0.077365  -0.008834   0.005916   0.098948  -0.047112
     6  C   -0.055538   0.126491  -0.291167   0.143694  -0.175788  -0.063458
     7  C    5.144988  -0.005394  -0.010825   0.037493  -0.013053   0.001997
     8  C   -0.005394   6.080124   0.028161   0.041266  -0.000730  -0.027792
     9  O   -0.010825   0.028161   8.682977  -0.009215   0.026649   0.012234
    10  C    0.037493   0.041266  -0.009215   6.474686  -0.365038   0.019780
    11  C   -0.013053  -0.000730   0.026649  -0.365038   6.081991  -0.008996
    12  H    0.001997  -0.027792   0.012234   0.019780  -0.008996   2.377558
    13  H   -0.034473   0.112348   0.009626   0.013601  -0.000151  -0.841901
    14  H   -0.068398   0.004217   0.005470   0.005020   0.002140   0.268202
    15  H    0.032861  -0.008315  -0.006370  -0.057058  -0.007274  -0.555499
    16  H    0.360296  -0.011908  -0.028379  -0.009599  -0.017094   0.003613
    17  H   -0.113353   0.006990   0.051004   0.000623  -0.001486  -0.000150
    18  H   -0.144278   0.004933   0.012940   0.123118   0.122126   0.014521
    19  H    0.002566  -0.069157  -0.017352  -0.000200   0.002980  -0.048809
    20  H    0.000501   0.045664  -0.000921   0.030169  -0.014748   0.002279
    21  H    0.002031  -0.003303   0.021205  -0.007839   0.015289   0.052216
    22  H    0.003829   0.016414  -0.002502   0.181929   0.032703   0.040416
    23  H    0.000224   0.053708   0.002331  -0.247670   0.028994  -0.008735
    24  H   -0.004573  -0.000638   0.001433  -0.226464   0.057749   0.003362
    25  H   -0.003448   0.021666   0.048661   0.026797   0.179563  -0.000134
    26  H   -0.030615   0.003955   0.000712   0.039321  -0.123812   0.000801
    27  H   -0.007845   0.018804  -0.014213   0.055888  -0.300770  -0.000442
              13         14         15         16         17         18
     1  C   -0.004303   0.064302  -0.089018   0.049900   0.018744  -0.651502
     2  C   -0.000532  -0.044838  -0.050036  -0.050867  -0.088347  -0.104175
     3  C   -0.154959   0.091693  -0.139499  -0.024029   0.017288   0.012681
     4  C   -0.090454  -0.110573   0.292904   0.032361  -0.062717  -0.201391
     5  C    0.072473  -0.024440  -0.018111  -0.056840   0.028109  -0.001982
     6  C    0.054820  -0.021948   0.043499  -0.077906   0.158790  -0.018235
     7  C   -0.034473  -0.068398   0.032861   0.360296  -0.113353  -0.144278
     8  C    0.112348   0.004217  -0.008315  -0.011908   0.006990   0.004933
     9  O    0.009626   0.005470  -0.006370  -0.028379   0.051004   0.012940
    10  C    0.013601   0.005020  -0.057058  -0.009599   0.000623   0.123118
    11  C   -0.000151   0.002140  -0.007274  -0.017094  -0.001486   0.122126
    12  H   -0.841901   0.268202  -0.555499   0.003613  -0.000150   0.014521
    13  H    2.346839  -0.330374   0.219232   0.000812  -0.003811  -0.001077
    14  H   -0.330374   2.421253  -1.045218   0.000119   0.035027   0.158006
    15  H    0.219232  -1.045218   2.837218  -0.009520   0.000860  -0.276011
    16  H    0.000812   0.000119  -0.009520   1.560401  -0.471191  -0.146958
    17  H   -0.003811   0.035027   0.000860  -0.471191   1.659549   0.085671
    18  H   -0.001077   0.158006  -0.276011  -0.146958   0.085671   2.791023
    19  H    0.034194  -0.000483   0.000953   0.000265   0.000291   0.000050
    20  H    0.000260  -0.000050  -0.000151  -0.001196   0.000533   0.002145
    21  H   -0.019344   0.001016  -0.002502  -0.000252   0.000043   0.001483
    22  H    0.008986   0.000675   0.018679   0.000238   0.001543   0.013412
    23  H    0.002025   0.001154  -0.002022  -0.000298   0.000012   0.004090
    24  H   -0.000263   0.003404   0.003075  -0.001789  -0.000660   0.053503
    25  H    0.000570   0.001813  -0.000078  -0.030122   0.007352   0.009915
    26  H    0.000162  -0.001333  -0.000505  -0.002460   0.004044   0.055221
    27  H    0.000333  -0.000214   0.000519  -0.004061   0.001598   0.000636
              19         20         21         22         23         24
     1  C    0.032991  -0.142617  -0.042966   0.003336   0.388752   0.200309
     2  C    0.384639   0.293945   0.241495  -0.049790  -0.112196   0.009268
     3  C   -0.019886  -0.007182  -0.010491  -0.033596  -0.008984   0.015126
     4  C    0.000878   0.000187   0.000627  -0.027954   0.003288  -0.023521
     5  C   -0.009349   0.006322   0.001752  -0.043045   0.001836   0.055457
     6  C    0.023648   0.023046  -0.027378   0.025085  -0.003200  -0.015674
     7  C    0.002566   0.000501   0.002031   0.003829   0.000224  -0.004573
     8  C   -0.069157   0.045664  -0.003303   0.016414   0.053708  -0.000638
     9  O   -0.017352  -0.000921   0.021205  -0.002502   0.002331   0.001433
    10  C   -0.000200   0.030169  -0.007839   0.181929  -0.247670  -0.226464
    11  C    0.002980  -0.014748   0.015289   0.032703   0.028994   0.057749
    12  H   -0.048809   0.002279   0.052216   0.040416  -0.008735   0.003362
    13  H    0.034194   0.000260  -0.019344   0.008986   0.002025  -0.000263
    14  H   -0.000483  -0.000050   0.001016   0.000675   0.001154   0.003404
    15  H    0.000953  -0.000151  -0.002502   0.018679  -0.002022   0.003075
    16  H    0.000265  -0.001196  -0.000252   0.000238  -0.000298  -0.001789
    17  H    0.000291   0.000533   0.000043   0.001543   0.000012  -0.000660
    18  H    0.000050   0.002145   0.001483   0.013412   0.004090   0.053503
    19  H    0.731072  -0.038061  -0.057344   0.000078  -0.000605  -0.000475
    20  H   -0.038061   0.796975  -0.057526   0.002716  -0.004733  -0.001396
    21  H   -0.057344  -0.057526   0.785926  -0.010312   0.019763   0.002211
    22  H    0.000078   0.002716  -0.010312   1.202205  -0.126478  -0.122092
    23  H   -0.000605  -0.004733   0.019763  -0.126478   0.975963  -0.067245
    24  H   -0.000475  -0.001396   0.002211  -0.122092  -0.067245   0.981223
    25  H   -0.002628   0.000563   0.002342  -0.005515   0.006806   0.004869
    26  H   -0.000248   0.003958  -0.001455   0.009972  -0.026791   0.016320
    27  H    0.001781   0.025436  -0.004075   0.004893   0.032160  -0.029107
              25         26         27
     1  C    0.197271   0.088995   0.382187
     2  C   -0.133090  -0.007686  -0.081395
     3  C    0.001060   0.000053  -0.000231
     4  C    0.002961  -0.005071  -0.000399
     5  C   -0.049973   0.068512  -0.008959
     6  C   -0.010751   0.003581   0.070174
     7  C   -0.003448  -0.030615  -0.007845
     8  C    0.021666   0.003955   0.018804
     9  O    0.048661   0.000712  -0.014213
    10  C    0.026797   0.039321   0.055888
    11  C    0.179563  -0.123812  -0.300770
    12  H   -0.000134   0.000801  -0.000442
    13  H    0.000570   0.000162   0.000333
    14  H    0.001813  -0.001333  -0.000214
    15  H   -0.000078  -0.000505   0.000519
    16  H   -0.030122  -0.002460  -0.004061
    17  H    0.007352   0.004044   0.001598
    18  H    0.009915   0.055221   0.000636
    19  H   -0.002628  -0.000248   0.001781
    20  H    0.000563   0.003958   0.025436
    21  H    0.002342  -0.001455  -0.004075
    22  H   -0.005515   0.009972   0.004893
    23  H    0.006806  -0.026791   0.032160
    24  H    0.004869   0.016320  -0.029107
    25  H    1.051603  -0.176728  -0.061264
    26  H   -0.176728   1.052389  -0.066694
    27  H   -0.061264  -0.066694   0.893258
 Mulliken charges:
               1
     1  C   -5.254736
     2  C   -3.255302
     3  C    1.262095
     4  C    1.149900
     5  C    0.631699
     6  C    0.577694
     7  C    1.075983
     8  C    2.023386
     9  O   -0.469065
    10  C    2.106135
    11  C    2.111642
    12  H    0.047796
    13  H   -0.394642
    14  H   -0.415640
    15  H   -0.182614
    16  H   -0.063534
    17  H   -0.336358
    18  H   -0.919868
    19  H    0.048213
    20  H    0.033883
    21  H    0.097392
    22  H   -0.145822
    23  H    0.087852
    24  H    0.086589
    25  H   -0.090079
    26  H    0.095404
    27  H    0.091999
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -5.254736
     2  C   -3.255302
     3  C    0.915249
     4  C    0.551646
     5  C   -0.288169
     6  C    0.577694
     7  C    0.676090
     8  C    2.202873
     9  O   -0.469065
    10  C    2.134754
    11  C    2.208966
 Electronic spatial extent (au):  <R**2>=           1477.1744
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              3.1587    Y=              0.9462    Z=             -0.1578  Tot=              3.3011
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -79.6766   YY=            -68.0450   ZZ=            -67.5243
   XY=             -2.3976   XZ=              1.1900   YZ=              0.3670
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -7.9279   YY=              3.7036   ZZ=              4.2243
   XY=             -2.3976   XZ=              1.1900   YZ=              0.3670
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             25.7272  YYY=              0.3467  ZZZ=              2.3427  XYY=             -4.0169
  XXY=              6.7502  XXZ=             -3.9895  XZZ=             -3.0151  YZZ=              0.8552
  YYZ=              0.9651  XYZ=              0.1763
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -905.3836 YYYY=           -657.8588 ZZZZ=           -563.1729 XXXY=             -6.6433
 XXXZ=             15.6398 YYYX=             -5.7530 YYYZ=             -1.4356 ZZZX=             -4.9999
 ZZZY=              4.1908 XXYY=           -242.3275 XXZZ=           -221.8368 YYZZ=           -207.9195
 XXYZ=              1.6573 YYXZ=             -1.1304 ZZXY=              2.3890
 N-N= 6.881402158671D+02 E-N=-2.454399566678D+03  KE= 4.602470828257D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 16 13:59:17 2021, MaxMem=  5637144576 cpu:               2.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.19406424D+00 3.61083692D-01-5.72722282D-02
 Polarizability= 1.14673425D+02 7.41876557D-01 1.11152414D+02
                -7.58282032D-02 1.27064056D+00 1.07423950D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.1700    0.1696        0.4874    0.4853
 2     -0.1700   -0.1696       -0.7252   -0.7242       -2.4552   -2.4581
 3     -0.4874   -0.4853        4.3083    4.3108        0.7253    0.7242
 4      0.7252    0.7242        0.0000    0.0000       -0.4886   -0.4853
 5     -1.8531   -1.8527        0.4886    0.4853        0.1717    0.1696
 6     -0.7253   -0.7242       -0.1717   -0.1696       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.5088   -0.5088        1.4559    1.4559
 2      2.1727    2.1727       -0.0000    0.0000        1.4559    1.4559
 3      2.1727    2.1727       -0.5088   -0.5088       -0.0000    0.0000
 4     -0.5088   -0.5088       -2.1727   -2.1727       -7.3742   -7.3742
 5     -1.4559   -1.4559       12.9325   12.9325        2.1727    2.1727
 6     -5.5582   -5.5582        1.4559    1.4559        0.5088    0.5088
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0010    0.0000       -0.6390   -0.6785       -1.9297   -1.9412
 2      0.6199    0.6785        2.9031    2.8969        9.7600    9.8323
 3      1.9473    1.9412      -17.3321  -17.2433       -2.9062   -2.8969
 4     -2.8519   -2.8969        0.0201    0.0000        1.9015    1.9412
 5      7.4365    7.4109       -1.9022   -1.9412       -0.6522   -0.6785
 6      2.9202    2.8969        0.7123    0.6785       -0.0200    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0384    0.0000        7.0922    7.0402        2.3705    2.3823
 2     -7.2259   -7.0402        3.7963    3.6914        8.6402    8.7262
 3     -2.3701   -2.3823       10.1172   10.0550       -3.6495   -3.6914
 4     -3.7675   -3.6914       -0.0035    0.0000       -2.3938   -2.3823
 5    -18.7164  -18.7811        2.3426    2.3823        6.9642    7.0402
 6      3.7139    3.6914       -7.0584   -7.0402        0.0139    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -7.7723   -7.8291       12.8166   12.8646       22.7444   22.7250
 2    -10.1614  -10.1958       20.5090   20.4702       22.7372   22.7250
 3    -10.1479  -10.1958       12.8458   12.8646       20.1820   20.1128
 4     -7.6599   -7.6056        2.3181    2.3666       13.0091   13.1123
 5     -2.5755   -2.6121       13.5752   13.6916       -2.3251   -2.3666
 6    -26.6896  -26.8039        2.6057    2.6121        7.5543    7.6056
 Full mass-weighted force constant matrix:
 Low frequencies ---  -15.6774   -6.3789   -0.0009   -0.0004   -0.0003    2.5755
 Low frequencies ---  107.8644  168.8419  183.4749
 Diagonal vibrational polarizability:
        4.4992302       6.3154133       7.5207719
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --    107.8534               168.8412               183.4743
 Red. masses --      4.5339                 1.1763                 1.1199
 Frc consts  --      0.0311                 0.0198                 0.0222
 IR Inten    --      3.8144                 0.1064                 0.0775
 RamAct Fr= 1--      0.6762                 0.1433                 0.0816
  Dep-P Fr= 1--      0.7497                 0.7124                 0.7498
  Dep-U Fr= 1--      0.8569                 0.8320                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0966                 0.0199                 0.0117
 AlphaG Fr= 1--      0.0002                -0.0008                -0.0001
 Gamma2 Fr= 1--      0.1439                -0.0376                 0.1100
 Delta2 Fr= 1--     -0.0437                 0.0280                 0.0021
 Raman1 Fr= 1--       2.705                  0.573                  0.326
 ROA1   Fr= 1--      12.410                 -2.710                 10.626
 CID1   Fr= 1--       4.588                 -4.729                 32.571
 Raman2 Fr= 1--       1.159                  0.238                  0.140
 ROA2   Fr= 1--       3.802                 -1.126                  2.623
 CID2   Fr= 1--       3.281                 -4.722                 18.765
 Raman3 Fr= 1--       2.318                  0.477                  0.280
 ROA3   Fr= 1--      12.410                 -2.710                 10.626
 CID3   Fr= 1--       5.355                 -5.683                 38.004
 RC180  Fr= 1--       0.714                  0.664                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.01  -0.00     0.00  -0.01   0.01    -0.00  -0.00   0.01
     2   6    -0.01   0.05  -0.06    -0.01  -0.01   0.02     0.00  -0.00   0.00
     3   6     0.03   0.08  -0.03    -0.03   0.02   0.03    -0.03   0.02   0.02
     4   6     0.13   0.02  -0.02     0.04  -0.02   0.02     0.02   0.00   0.01
     5   6     0.01   0.03  -0.03    -0.01  -0.01   0.02     0.00  -0.00   0.00
     6   6     0.01  -0.03   0.02    -0.02  -0.01  -0.00    -0.00  -0.01  -0.00
     7   6    -0.03   0.09  -0.12    -0.02   0.00  -0.01    -0.00  -0.00  -0.01
     8   6     0.01   0.08  -0.13     0.02  -0.00  -0.01     0.03   0.00  -0.03
     9   8     0.09  -0.25   0.28    -0.03   0.02  -0.05    -0.01   0.00  -0.02
    10   6    -0.04  -0.07   0.06    -0.01   0.01  -0.03    -0.02  -0.05  -0.01
    11   6    -0.15   0.04   0.01     0.05   0.00   0.02     0.00   0.04   0.03
    12   1    -0.03   0.06  -0.07    -0.10   0.02  -0.03    -0.07   0.03  -0.02
    13   1     0.02   0.16   0.02    -0.06   0.05   0.10    -0.05   0.05   0.06
    14   1     0.25   0.09  -0.06     0.10   0.02   0.00     0.06   0.03   0.01
    15   1     0.17  -0.11   0.02     0.06  -0.10   0.03     0.03  -0.05   0.01
    16   1    -0.12   0.25  -0.10    -0.05   0.03  -0.01    -0.01   0.02  -0.01
    17   1    -0.00   0.06  -0.30    -0.01   0.00  -0.05    -0.00  -0.01  -0.03
    18   1    -0.02  -0.00   0.02    -0.02  -0.02   0.04    -0.00  -0.01   0.01
    19   1     0.06   0.12  -0.22     0.09   0.01  -0.10    -0.27  -0.11   0.42
    20   1    -0.09   0.05  -0.18    -0.08  -0.00  -0.02     0.58  -0.12  -0.03
    21   1     0.06   0.08  -0.07     0.08  -0.02   0.08    -0.20   0.24  -0.47
    22   1    -0.02  -0.20  -0.01    -0.20  -0.32  -0.23    -0.04  -0.10  -0.04
    23   1    -0.04  -0.10   0.20     0.16  -0.03   0.35    -0.04  -0.06   0.05
    24   1    -0.04   0.01   0.03     0.01   0.39  -0.23     0.01  -0.02  -0.05
    25   1    -0.13   0.20   0.03     0.16   0.25   0.22     0.00   0.05   0.03
    26   1    -0.08  -0.07  -0.01     0.29  -0.19  -0.13    -0.00   0.08   0.02
    27   1    -0.32   0.00   0.01    -0.25  -0.05  -0.04     0.02   0.03   0.08
                      4                      5                      6
                      A                      A                      A
 Frequencies --    217.3103               224.8310               241.8621
 Red. masses --      1.9044                 1.1543                 2.5418
 Frc consts  --      0.0530                 0.0344                 0.0876
 IR Inten    --      0.2196                 0.3175                 0.7529
 RamAct Fr= 1--      0.2736                 0.0917                 0.5991
  Dep-P Fr= 1--      0.7499                 0.7419                 0.6151
  Dep-U Fr= 1--      0.8571                 0.8518                 0.7617
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0015
 Beta2  Fr= 1--      0.0391                 0.0130                 0.0761
 AlphaG Fr= 1--     -0.0000                 0.0006                 0.0010
 Gamma2 Fr= 1--      0.0469                -0.0161                 0.1246
 Delta2 Fr= 1--     -0.0437                 0.0249                 0.0556
 Raman1 Fr= 1--       1.095                  0.367                  2.396
 ROA1   Fr= 1--       3.102                 -0.745                 13.738
 CID1   Fr= 1--       2.834                 -2.031                  5.733
 Raman2 Fr= 1--       0.469                  0.156                  0.913
 ROA2   Fr= 1--       1.474                 -0.584                  2.544
 CID2   Fr= 1--       3.143                 -3.740                  2.788
 Raman3 Fr= 1--       0.938                  0.313                  1.825
 ROA3   Fr= 1--       3.102                 -0.745                 13.738
 CID3   Fr= 1--       3.307                 -2.384                  7.527
 RC180  Fr= 1--       0.714                  0.704                  0.523
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.01    -0.00  -0.02  -0.01    -0.01   0.01  -0.01
     2   6     0.01   0.00  -0.02    -0.00  -0.01  -0.01     0.00   0.01   0.01
     3   6     0.05  -0.04  -0.04    -0.05   0.01  -0.00    -0.10   0.02   0.00
     4   6    -0.01  -0.02  -0.02     0.01  -0.02  -0.01    -0.03   0.01  -0.03
     5   6    -0.01  -0.00  -0.01     0.02  -0.02  -0.02     0.02   0.02  -0.02
     6   6     0.01   0.02   0.00     0.01  -0.00   0.01     0.00   0.02   0.03
     7   6     0.01   0.02  -0.00     0.03  -0.02   0.02     0.04   0.03   0.01
     8   6    -0.09  -0.01   0.05     0.01  -0.00  -0.04     0.25  -0.05   0.06
     9   8     0.02   0.01   0.04    -0.00   0.03   0.01    -0.02   0.09   0.04
    10   6     0.08   0.14   0.08     0.02   0.02   0.03    -0.02  -0.03   0.00
    11   6    -0.06  -0.12  -0.09    -0.04   0.01   0.00    -0.14  -0.09  -0.09
    12   1     0.11  -0.06   0.02    -0.10   0.02  -0.06    -0.17   0.05  -0.07
    13   1     0.08  -0.07  -0.11    -0.08   0.03   0.06    -0.15   0.03   0.10
    14   1    -0.06  -0.04  -0.03     0.04   0.01  -0.00    -0.01   0.02  -0.00
    15   1    -0.02   0.03  -0.01     0.01  -0.06  -0.03    -0.05  -0.03  -0.08
    16   1     0.01   0.02  -0.00     0.08  -0.06   0.02     0.06   0.04   0.01
    17   1     0.01   0.02  -0.00     0.02  -0.02   0.07     0.03   0.02   0.01
    18   1     0.01   0.00  -0.03     0.04  -0.03  -0.03     0.04   0.03  -0.05
    19   1    -0.27  -0.03   0.31     0.05   0.01  -0.09     0.31  -0.28  -0.01
    20   1     0.15  -0.01   0.09    -0.04  -0.01  -0.05     0.35  -0.04   0.09
    21   1    -0.25   0.01  -0.19     0.04  -0.00   0.01     0.37   0.08   0.15
    22   1     0.04   0.05   0.03    -0.09  -0.22  -0.12     0.02   0.01   0.03
    23   1     0.29   0.15   0.23     0.20  -0.00   0.33    -0.07  -0.03  -0.05
    24   1    -0.03   0.39   0.09    -0.01   0.35  -0.09    -0.01  -0.11   0.03
    25   1    -0.03  -0.03  -0.05    -0.18  -0.30  -0.25    -0.14  -0.00  -0.10
    26   1     0.03  -0.33  -0.08    -0.35   0.29   0.18    -0.10  -0.30  -0.03
    27   1    -0.23  -0.13  -0.24     0.36   0.07   0.11    -0.30  -0.10  -0.21
                      7                      8                      9
                      A                      A                      A
 Frequencies --    262.3832               290.0213               300.8236
 Red. masses --      2.2777                 1.9455                 2.8745
 Frc consts  --      0.0924                 0.0964                 0.1533
 IR Inten    --      0.6152                 0.3555                 1.8442
 RamAct Fr= 1--      0.8671                 0.3776                 0.7399
  Dep-P Fr= 1--      0.6077                 0.4049                 0.5927
  Dep-U Fr= 1--      0.7560                 0.5764                 0.7443
 Alpha2 Fr= 1--      0.0023                 0.0027                 0.0022
 Beta2  Fr= 1--      0.1092                 0.0363                 0.0918
 AlphaG Fr= 1--      0.0035                 0.0114                -0.0041
 Gamma2 Fr= 1--     -0.0616                 0.0257                 0.1511
 Delta2 Fr= 1--     -0.0719                 0.0037                 0.0966
 Raman1 Fr= 1--       3.468                  1.510                  2.960
 ROA1   Fr= 1--      -8.214                  2.590                 17.595
 CID1   Fr= 1--      -2.368                  1.715                  5.945
 Raman2 Fr= 1--       1.311                  0.435                  1.101
 ROA2   Fr= 1--      -0.903                  0.588                  2.853
 CID2   Fr= 1--      -0.689                  1.352                  2.591
 Raman3 Fr= 1--       2.622                  0.871                  2.203
 ROA3   Fr= 1--      -8.214                  2.590                 17.595
 CID3   Fr= 1--      -3.133                  2.975                  7.988
 RC180  Fr= 1--       0.512                  0.153                  0.489
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.01    -0.01   0.02  -0.02    -0.06  -0.02   0.02
     2   6    -0.01   0.03   0.00     0.02   0.05  -0.04    -0.05  -0.02  -0.00
     3   6     0.03   0.06   0.02     0.11   0.00  -0.05     0.18  -0.10  -0.02
     4   6     0.13   0.01   0.06    -0.10   0.08   0.02     0.03  -0.04   0.02
     5   6    -0.02   0.00   0.05     0.00   0.02   0.01    -0.04  -0.02   0.02
     6   6    -0.02   0.01  -0.04     0.03   0.02  -0.02    -0.08   0.04   0.00
     7   6    -0.06   0.04  -0.06     0.02  -0.04   0.08    -0.04   0.03  -0.02
     8   6    -0.01  -0.04   0.19     0.01   0.01   0.07     0.11  -0.01  -0.10
     9   8     0.00  -0.07  -0.03     0.05  -0.04  -0.01    -0.10   0.10   0.15
    10   6    -0.06   0.03  -0.12    -0.06  -0.11  -0.06    -0.08   0.06  -0.08
    11   6     0.02  -0.07  -0.06    -0.08   0.04  -0.01     0.08  -0.03   0.01
    12   1    -0.02   0.06  -0.03     0.28   0.02   0.09     0.37  -0.19   0.19
    13   1     0.04   0.16   0.07     0.18  -0.09  -0.23     0.32  -0.13  -0.29
    14   1     0.25   0.08   0.01    -0.27  -0.03   0.07    -0.06  -0.09  -0.03
    15   1     0.18  -0.12   0.13    -0.14   0.28   0.03     0.03   0.06   0.09
    16   1    -0.15   0.08  -0.06     0.08  -0.16   0.07    -0.08   0.02  -0.02
    17   1    -0.02   0.05  -0.14     0.00  -0.02   0.21    -0.01   0.04  -0.03
    18   1    -0.06  -0.03   0.12     0.02   0.02  -0.01    -0.04  -0.04   0.04
    19   1    -0.04  -0.16   0.25    -0.01  -0.06   0.11     0.13  -0.10  -0.12
    20   1     0.05   0.11   0.33     0.04   0.09   0.15     0.23  -0.12  -0.17
    21   1    -0.03  -0.14   0.21    -0.01  -0.05   0.08     0.17   0.18  -0.13
    22   1    -0.14   0.02  -0.14    -0.17  -0.38  -0.22    -0.17   0.03  -0.10
    23   1    -0.07   0.03  -0.13    -0.06  -0.16   0.23    -0.01   0.06  -0.05
    24   1     0.00   0.03  -0.19     0.02   0.10  -0.24    -0.06   0.14  -0.14
    25   1    -0.07  -0.31  -0.20    -0.08   0.11  -0.02     0.08  -0.17   0.03
    26   1    -0.17   0.07   0.06    -0.07   0.01  -0.00     0.04   0.08  -0.00
    27   1     0.29  -0.01  -0.08    -0.14   0.03   0.02     0.23  -0.00   0.02
                     10                     11                     12
                      A                      A                      A
 Frequencies --    384.7229               395.1090               415.9510
 Red. masses --      2.4671                 2.4238                 2.1458
 Frc consts  --      0.2151                 0.2229                 0.2187
 IR Inten    --      0.7434                 0.1689                 1.2041
 RamAct Fr= 1--      0.4342                 1.5364                 0.4018
  Dep-P Fr= 1--      0.4507                 0.2232                 0.6531
  Dep-U Fr= 1--      0.6213                 0.3650                 0.7901
 Alpha2 Fr= 1--      0.0027                 0.0196                 0.0007
 Beta2  Fr= 1--      0.0450                 0.0935                 0.0529
 AlphaG Fr= 1--     -0.0107                -0.0103                -0.0048
 Gamma2 Fr= 1--     -0.1625                -0.1997                 0.2277
 Delta2 Fr= 1--     -0.0365                -0.1717                 0.1238
 Raman1 Fr= 1--       1.737                  6.146                  1.607
 ROA1   Fr= 1--     -16.767                -24.663                 25.818
 CID1   Fr= 1--      -9.655                 -4.013                 16.062
 Raman2 Fr= 1--       0.540                  1.122                  0.635
 ROA2   Fr= 1--      -3.607                 -3.418                  4.474
 CID2   Fr= 1--      -6.687                 -3.048                  7.045
 Raman3 Fr= 1--       1.079                  2.243                  1.270
 ROA3   Fr= 1--     -16.767                -24.663                 25.818
 CID3   Fr= 1--     -15.540                -10.995                 20.329
 RC180  Fr= 1--       0.243                 -0.270                  0.580
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.10    -0.00   0.02  -0.01    -0.03   0.08   0.03
     2   6     0.06  -0.00   0.13    -0.02   0.05  -0.03    -0.02   0.06   0.03
     3   6    -0.02  -0.09   0.08    -0.02   0.06  -0.03     0.02  -0.05  -0.04
     4   6    -0.08  -0.01  -0.04    -0.05   0.06  -0.02     0.11  -0.07  -0.11
     5   6    -0.00   0.08   0.01    -0.04   0.04  -0.02    -0.04   0.08  -0.04
     6   6     0.05   0.02   0.04    -0.05   0.03  -0.03    -0.03   0.01   0.04
     7   6    -0.03   0.13  -0.04    -0.06   0.02  -0.05     0.00  -0.05   0.14
     8   6    -0.00   0.09  -0.04     0.01   0.03   0.03     0.02   0.08   0.01
     9   8     0.07  -0.03  -0.07    -0.04   0.00   0.03    -0.01  -0.06  -0.04
    10   6    -0.04  -0.04  -0.05     0.05  -0.16   0.15    -0.06   0.01   0.02
    11   6    -0.00  -0.13   0.01     0.18  -0.09  -0.06     0.01  -0.01  -0.02
    12   1    -0.01  -0.13   0.10     0.01   0.07  -0.01    -0.04  -0.16  -0.04
    13   1    -0.04  -0.21   0.06    -0.01   0.04  -0.06     0.02  -0.00  -0.03
    14   1    -0.17  -0.07  -0.06    -0.06   0.05  -0.01     0.29   0.02  -0.30
    15   1    -0.12   0.06  -0.10    -0.05   0.07  -0.02     0.20  -0.30   0.00
    16   1    -0.10   0.27  -0.02    -0.06  -0.01  -0.05     0.28  -0.30   0.13
    17   1    -0.02   0.09  -0.22    -0.05   0.03  -0.02    -0.12  -0.04   0.48
    18   1    -0.02   0.17  -0.04    -0.08   0.07  -0.02    -0.04   0.13  -0.08
    19   1     0.00   0.29  -0.06     0.01  -0.05   0.03     0.02   0.09  -0.00
    20   1    -0.06  -0.07  -0.20     0.04   0.08   0.08     0.03   0.04  -0.03
    21   1    -0.03   0.16  -0.12     0.02   0.01   0.06     0.03   0.15  -0.01
    22   1    -0.19  -0.13  -0.12     0.25  -0.34   0.08    -0.02  -0.01   0.02
    23   1    -0.12  -0.06   0.01    -0.04  -0.20   0.38    -0.14   0.00   0.03
    24   1     0.10  -0.02  -0.22    -0.02  -0.13   0.22    -0.04  -0.04   0.02
    25   1    -0.08  -0.30  -0.12     0.21  -0.31   0.04     0.04  -0.09   0.04
    26   1    -0.13  -0.19   0.17     0.19  -0.02  -0.11     0.05  -0.09  -0.03
    27   1     0.12  -0.08  -0.15     0.37  -0.02  -0.18     0.01   0.01  -0.15
                     13                     14                     15
                      A                      A                      A
 Frequencies --    476.4676               525.0170               560.6597
 Red. masses --      3.2728                 2.9420                 4.2152
 Frc consts  --      0.4378                 0.4778                 0.7807
 IR Inten    --      0.6315                 4.2454                 2.3808
 RamAct Fr= 1--      2.1118                 0.5752                 4.8049
  Dep-P Fr= 1--      0.6040                 0.4195                 0.2226
  Dep-U Fr= 1--      0.7531                 0.5911                 0.3641
 Alpha2 Fr= 1--      0.0057                 0.0040                 0.0614
 Beta2  Fr= 1--      0.2651                 0.0567                 0.2916
 AlphaG Fr= 1--     -0.0087                 0.0041                -0.0728
 Gamma2 Fr= 1--     -0.8982                 0.4845                -0.2327
 Delta2 Fr= 1--     -0.0547                 0.0898                 0.2385
 Raman1 Fr= 1--       8.447                  2.301                 19.220
 ROA1   Fr= 1--     -87.973                 49.388                -14.709
 CID1   Fr= 1--     -10.414                 21.466                 -0.765
 Raman2 Fr= 1--       3.181                  0.680                  3.499
 ROA2   Fr= 1--     -21.118                 10.910                 -7.494
 CID2   Fr= 1--      -6.639                 16.045                 -2.142
 Raman3 Fr= 1--       6.362                  1.360                  6.998
 ROA3   Fr= 1--     -87.973                 49.388                -14.709
 CID3   Fr= 1--     -13.828                 36.316                 -2.102
 RC180  Fr= 1--       0.506                  0.182                 -0.272
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13   0.08  -0.08     0.03   0.08   0.09    -0.05   0.03  -0.08
     2   6     0.03  -0.02   0.07     0.12  -0.08  -0.05     0.03  -0.01  -0.08
     3   6     0.05  -0.04   0.08     0.02   0.04  -0.02    -0.05  -0.10  -0.06
     4   6     0.04   0.00   0.03     0.02   0.06  -0.02    -0.07  -0.19   0.12
     5   6    -0.05   0.05   0.02    -0.09   0.12   0.00    -0.14  -0.03   0.16
     6   6    -0.06  -0.10   0.12     0.10  -0.06  -0.07     0.13   0.12  -0.01
     7   6    -0.09  -0.06   0.02    -0.05  -0.12  -0.06    -0.10   0.11   0.13
     8   6    -0.02   0.01   0.01    -0.04  -0.12  -0.04     0.01  -0.06  -0.05
     9   8    -0.12   0.04   0.01     0.04   0.14   0.10     0.19   0.06   0.00
    10   6     0.19  -0.07  -0.07    -0.05   0.00   0.00    -0.03  -0.02   0.02
    11   6    -0.06   0.11  -0.16    -0.01  -0.04   0.05     0.03   0.09  -0.14
    12   1     0.12  -0.11   0.17    -0.09   0.17  -0.18    -0.06   0.02  -0.13
    13   1     0.10  -0.06  -0.03    -0.08   0.04   0.16    -0.09  -0.07   0.02
    14   1     0.11   0.04  -0.11     0.09   0.09  -0.13     0.14  -0.08  -0.07
    15   1     0.09  -0.11   0.11     0.07  -0.04   0.07     0.04  -0.40   0.29
    16   1    -0.10   0.15   0.05    -0.00  -0.33  -0.09    -0.35   0.14   0.11
    17   1    -0.16  -0.14  -0.16    -0.27  -0.21   0.10    -0.03   0.11  -0.05
    18   1    -0.14   0.10   0.07    -0.20   0.23   0.03    -0.03  -0.06   0.07
    19   1    -0.02   0.14   0.00    -0.09   0.05   0.03     0.02  -0.07  -0.07
    20   1    -0.09  -0.04  -0.06    -0.14  -0.07  -0.02     0.02  -0.06  -0.05
    21   1    -0.05  -0.01  -0.03    -0.15  -0.30  -0.10     0.02  -0.04  -0.04
    22   1     0.31  -0.19  -0.11    -0.17  -0.05  -0.04     0.13  -0.11   0.00
    23   1     0.04  -0.11   0.04    -0.21  -0.02  -0.01    -0.15  -0.04   0.10
    24   1     0.21  -0.13  -0.06     0.11  -0.08  -0.14    -0.06  -0.09   0.09
    25   1    -0.15   0.20  -0.36    -0.02  -0.11   0.04     0.06   0.10  -0.08
    26   1    -0.18   0.01   0.01    -0.02  -0.17   0.13     0.05   0.21  -0.22
    27   1    -0.16   0.09  -0.14    -0.02  -0.01  -0.11     0.07   0.09  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    576.2037               619.5430               652.5346
 Red. masses --      3.6222                 2.6584                 3.7574
 Frc consts  --      0.7086                 0.6012                 0.9426
 IR Inten    --      0.8356                 0.9632                 2.1404
 RamAct Fr= 1--      2.2979                 2.0869                24.7029
  Dep-P Fr= 1--      0.5077                 0.5569                 0.0170
  Dep-U Fr= 1--      0.6734                 0.7154                 0.0335
 Alpha2 Fr= 1--      0.0109                 0.0077                 0.5275
 Beta2  Fr= 1--      0.2579                 0.2488                 0.1379
 AlphaG Fr= 1--     -0.0211                -0.0569                 0.2899
 Gamma2 Fr= 1--      0.2801                 0.2102                -0.3242
 Delta2 Fr= 1--     -0.4548                 0.2402                 0.0671
 Raman1 Fr= 1--       9.192                  8.348                 98.812
 ROA1   Fr= 1--      12.333                 27.867                -28.980
 CID1   Fr= 1--       1.342                  3.338                 -0.293
 Raman2 Fr= 1--       3.095                  2.986                  1.655
 ROA2   Fr= 1--      10.360                  3.123                 -8.318
 CID2   Fr= 1--       3.347                  1.046                 -5.026
 Raman3 Fr= 1--       6.190                  5.972                  3.310
 ROA3   Fr= 1--      12.333                 27.867                -28.980
 CID3   Fr= 1--       1.992                  4.666                 -8.755
 RC180  Fr= 1--       0.347                  0.431                 -0.933
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.06   0.06    -0.03  -0.06  -0.01    -0.04   0.05  -0.02
     2   6     0.05   0.10  -0.05     0.04   0.07  -0.05     0.03   0.04   0.07
     3   6    -0.04  -0.02  -0.11     0.03   0.05  -0.13    -0.03  -0.08   0.11
     4   6    -0.06  -0.12  -0.02    -0.01  -0.01  -0.06    -0.01  -0.08   0.04
     5   6    -0.06  -0.08   0.04    -0.05  -0.06  -0.03     0.06  -0.09   0.01
     6   6    -0.06   0.12  -0.13     0.09  -0.14   0.18     0.06  -0.04  -0.11
     7   6    -0.10  -0.04  -0.01    -0.04  -0.08   0.04     0.04  -0.19  -0.18
     8   6     0.04   0.18   0.05     0.02   0.12   0.04     0.04   0.21   0.09
     9   8    -0.02   0.00   0.07     0.01   0.08  -0.03     0.03   0.05   0.05
    10   6     0.19  -0.03  -0.09    -0.05   0.01   0.01    -0.13   0.03   0.06
    11   6    -0.02  -0.06   0.14     0.01  -0.05   0.05     0.00   0.09  -0.13
    12   1    -0.12   0.03  -0.21     0.04   0.03  -0.11    -0.04  -0.15   0.14
    13   1    -0.12  -0.03   0.02     0.02   0.03  -0.13    -0.04  -0.13   0.10
    14   1    -0.01  -0.09  -0.02     0.02   0.01  -0.04    -0.10  -0.12   0.13
    15   1    -0.04  -0.14   0.05     0.02  -0.00   0.03    -0.07   0.01  -0.07
    16   1    -0.20  -0.28  -0.07    -0.12   0.50   0.13    -0.07  -0.34  -0.23
    17   1     0.02   0.07   0.16    -0.16  -0.29  -0.53     0.03  -0.18  -0.10
    18   1    -0.13   0.08  -0.01    -0.04  -0.05  -0.05    -0.01  -0.12   0.09
    19   1     0.02   0.14   0.08     0.01   0.08   0.07     0.02   0.34   0.11
    20   1     0.05   0.23   0.10     0.02   0.21   0.13    -0.02   0.18   0.05
    21   1     0.02   0.13   0.06     0.00   0.02   0.07    -0.01   0.20   0.04
    22   1     0.03   0.04  -0.09    -0.09   0.05   0.03    -0.04  -0.00   0.06
    23   1     0.19  -0.01  -0.19     0.01   0.02  -0.03    -0.13   0.02   0.12
    24   1     0.28  -0.05  -0.19    -0.07   0.04   0.02    -0.19   0.04   0.12
    25   1    -0.07   0.10   0.02     0.04  -0.04   0.12     0.03   0.03  -0.08
    26   1    -0.08  -0.07   0.20     0.04   0.06  -0.03     0.04   0.09  -0.17
    27   1    -0.13  -0.10   0.26     0.05  -0.05   0.13     0.04   0.11  -0.18
                     19                     20                     21
                      A                      A                      A
 Frequencies --    714.3281               756.0539               836.2095
 Red. masses --      2.9996                 2.0838                 1.5196
 Frc consts  --      0.9018                 0.7018                 0.6261
 IR Inten    --      0.4383                 7.3510                 0.3252
 RamAct Fr= 1--      3.9775                 2.2935                 1.2758
  Dep-P Fr= 1--      0.4988                 0.6833                 0.1624
  Dep-U Fr= 1--      0.6656                 0.8119                 0.2794
 Alpha2 Fr= 1--      0.0198                 0.0027                 0.0191
 Beta2  Fr= 1--      0.4413                 0.3103                 0.0594
 AlphaG Fr= 1--      0.0310                 0.0089                 0.0619
 Gamma2 Fr= 1--      1.6187                 0.0270                -0.6879
 Delta2 Fr= 1--      0.5997                -0.0482                -0.1794
 Raman1 Fr= 1--      15.910                  9.174                  5.103
 ROA1   Fr= 1--     174.588                  1.052                -71.776
 CID1   Fr= 1--      10.973                  0.115                -14.065
 Raman2 Fr= 1--       5.295                  3.724                  0.713
 ROA2   Fr= 1--      34.052                  1.035                -15.074
 CID2   Fr= 1--       6.431                  0.278                -21.146
 Raman3 Fr= 1--      10.590                  7.448                  1.426
 ROA3   Fr= 1--     174.588                  1.052                -71.776
 CID3   Fr= 1--      16.486                  0.141                -50.343
 RC180  Fr= 1--       0.331                  0.624                 -0.441
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.08   0.18   0.12    -0.03  -0.07  -0.04     0.01   0.01   0.02
     2   6     0.03   0.03  -0.10     0.20  -0.05   0.03    -0.10   0.02   0.01
     3   6    -0.01  -0.02  -0.13     0.09  -0.02  -0.01     0.03  -0.04  -0.02
     4   6    -0.02  -0.11   0.04     0.03   0.02  -0.03     0.09   0.01  -0.06
     5   6     0.13  -0.03   0.10    -0.03  -0.05  -0.03     0.04   0.01   0.05
     6   6    -0.09  -0.05  -0.02    -0.07   0.02   0.02     0.03   0.03   0.01
     7   6     0.10  -0.01   0.04    -0.04   0.08   0.05    -0.08  -0.04   0.02
     8   6    -0.00  -0.03  -0.03     0.05   0.01   0.02    -0.04  -0.02  -0.00
     9   8    -0.12  -0.04  -0.00    -0.06  -0.02   0.02     0.04   0.01  -0.01
    10   6    -0.05   0.04   0.05    -0.05  -0.01   0.02     0.02  -0.01  -0.00
    11   6     0.03   0.05  -0.02    -0.00   0.02  -0.06     0.00   0.01  -0.01
    12   1    -0.07   0.08  -0.23    -0.24   0.15  -0.38    -0.30  -0.19  -0.22
    13   1    -0.04   0.07  -0.03    -0.14   0.01   0.45    -0.03   0.25   0.25
    14   1    -0.11  -0.16   0.17    -0.19  -0.11  -0.01    -0.35  -0.25   0.01
    15   1    -0.08   0.04  -0.03    -0.01   0.28   0.02    -0.03   0.48  -0.13
    16   1    -0.11   0.28   0.07     0.05   0.01   0.05    -0.19  -0.04   0.01
    17   1     0.28   0.03  -0.26     0.03   0.14   0.16    -0.15  -0.10  -0.05
    18   1     0.15   0.09  -0.00     0.03  -0.15  -0.01    -0.00  -0.02   0.12
    19   1    -0.04   0.02   0.03    -0.02   0.33   0.12     0.03  -0.21  -0.11
    20   1    -0.06   0.04   0.02    -0.12  -0.01  -0.03     0.09  -0.08  -0.04
    21   1    -0.08  -0.18  -0.06    -0.12  -0.19  -0.11     0.10   0.20   0.07
    22   1    -0.14  -0.08  -0.03    -0.07   0.03   0.03     0.01  -0.00  -0.00
    23   1    -0.35   0.00   0.09     0.01   0.00  -0.00     0.02  -0.01   0.01
    24   1     0.17  -0.11  -0.13    -0.09   0.03   0.05     0.02  -0.01  -0.00
    25   1    -0.02  -0.06  -0.10     0.02   0.05  -0.02    -0.01   0.00  -0.03
    26   1    -0.02  -0.15   0.13     0.02   0.11  -0.13    -0.01  -0.01   0.02
    27   1     0.02   0.10  -0.28     0.01   0.00   0.03    -0.00   0.02  -0.04
                     22                     23                     24
                      A                      A                      A
 Frequencies --    863.2119               873.5968               926.6827
 Red. masses --      2.6435                 2.1939                 2.5998
 Frc consts  --      1.1606                 0.9865                 1.3154
 IR Inten    --      1.9531                 0.4185                 1.1582
 RamAct Fr= 1--      3.3421                 6.3471                 4.3358
  Dep-P Fr= 1--      0.0966                 0.2178                 0.1654
  Dep-U Fr= 1--      0.1762                 0.3576                 0.2838
 Alpha2 Fr= 1--      0.0590                 0.0822                 0.0644
 Beta2  Fr= 1--      0.0982                 0.3783                 0.2051
 AlphaG Fr= 1--      0.0030                -0.1705                 0.0021
 Gamma2 Fr= 1--     -0.3278                -0.3887                 1.9408
 Delta2 Fr= 1--     -0.2732                -0.1799                 0.2225
 Raman1 Fr= 1--      13.368                 25.388                 17.343
 ROA1   Fr= 1--     -40.212                -43.071                193.438
 CID1   Fr= 1--      -3.008                 -1.697                 11.153
 Raman2 Fr= 1--       1.178                  4.540                  2.461
 ROA2   Fr= 1--      -5.681                 -7.890                 44.799
 CID2   Fr= 1--      -4.823                 -1.738                 18.202
 Raman3 Fr= 1--       2.356                  9.080                  4.923
 ROA3   Fr= 1--     -40.212                -43.071                193.438
 CID3   Fr= 1--     -17.068                 -4.744                 39.296
 RC180  Fr= 1--      -0.648                 -0.285                 -0.432
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.05     0.02   0.00   0.01     0.05   0.01   0.05
     2   6     0.04   0.04  -0.12     0.03  -0.03   0.11     0.02   0.04  -0.07
     3   6    -0.03  -0.11   0.10    -0.07   0.02  -0.12     0.04   0.04   0.21
     4   6     0.01   0.06  -0.05     0.03   0.15  -0.10    -0.02   0.01  -0.12
     5   6     0.12   0.18   0.15     0.07  -0.09   0.08    -0.02  -0.16  -0.10
     6   6    -0.02  -0.05  -0.09    -0.01   0.05  -0.03    -0.01   0.08  -0.01
     7   6     0.01  -0.01   0.08    -0.07  -0.04   0.06    -0.08  -0.03   0.08
     8   6     0.02   0.03  -0.04     0.01  -0.04   0.04    -0.01  -0.01  -0.08
     9   8    -0.05  -0.00   0.02     0.01  -0.00   0.01     0.03   0.00   0.01
    10   6    -0.01  -0.02  -0.02    -0.03   0.01   0.02    -0.02   0.03   0.05
    11   6    -0.02  -0.05   0.01     0.01   0.01  -0.01     0.03   0.04  -0.01
    12   1    -0.03  -0.08   0.07     0.12  -0.06   0.08     0.06   0.06   0.22
    13   1    -0.07  -0.23   0.10    -0.05  -0.25  -0.33     0.04  -0.08   0.14
    14   1     0.03   0.05  -0.29     0.24   0.29  -0.01     0.05   0.06  -0.13
    15   1    -0.03  -0.10  -0.24     0.05  -0.09  -0.19    -0.02  -0.12  -0.20
    16   1    -0.30   0.07   0.06    -0.41  -0.08   0.01    -0.21   0.10   0.09
    17   1    -0.06  -0.10  -0.15     0.08   0.02  -0.06     0.07   0.01  -0.10
    18   1     0.20   0.08   0.15     0.13  -0.27   0.17     0.06  -0.22  -0.14
    19   1    -0.06  -0.06   0.08     0.03   0.23  -0.01    -0.06  -0.34   0.01
    20   1     0.01   0.29   0.19    -0.09  -0.27  -0.19     0.09   0.30   0.22
    21   1    -0.06  -0.24   0.00    -0.03   0.07  -0.08     0.01  -0.22   0.07
    22   1     0.05   0.06   0.03    -0.04   0.01   0.02    -0.19  -0.01   0.00
    23   1     0.19   0.00  -0.03    -0.03   0.01   0.01    -0.18   0.02  -0.02
    24   1    -0.15   0.09   0.08    -0.02   0.01   0.01     0.17  -0.06  -0.13
    25   1     0.04   0.04   0.12    -0.02   0.04  -0.09    -0.03  -0.00  -0.14
    26   1     0.03   0.17  -0.15    -0.02  -0.02   0.04    -0.02  -0.15   0.14
    27   1     0.05  -0.08   0.25    -0.02   0.01  -0.03    -0.03   0.06  -0.19
                     25                     26                     27
                      A                      A                      A
 Frequencies --    944.2818               947.7758               960.2831
 Red. masses --      1.7395                 2.1469                 1.6752
 Frc consts  --      0.9138                 1.1363                 0.9102
 IR Inten    --      2.2311                 1.8846                 1.4287
 RamAct Fr= 1--      2.4276                 1.9589                 4.3836
  Dep-P Fr= 1--      0.5116                 0.7310                 0.7427
  Dep-U Fr= 1--      0.6769                 0.8446                 0.8524
 Alpha2 Fr= 1--      0.0113                 0.0006                 0.0005
 Beta2  Fr= 1--      0.2739                 0.2757                 0.6227
 AlphaG Fr= 1--     -0.0067                 0.0077                 0.0077
 Gamma2 Fr= 1--      0.4809                 0.5447                -0.5615
 Delta2 Fr= 1--      0.8644                 0.8174                -1.3017
 Raman1 Fr= 1--       9.710                  7.836                 17.534
 ROA1   Fr= 1--      73.827                 78.447                -95.555
 CID1   Fr= 1--       7.603                 10.012                 -5.450
 Raman2 Fr= 1--       3.286                  3.309                  7.473
 ROA2   Fr= 1--       4.626                  6.534                 -3.061
 CID2   Fr= 1--       1.408                  1.975                 -0.410
 Raman3 Fr= 1--       6.573                  6.618                 14.946
 ROA3   Fr= 1--      73.827                 78.447                -95.555
 CID3   Fr= 1--      11.233                 11.854                 -6.393
 RC180  Fr= 1--       0.354                  0.689                  0.705
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.03  -0.00     0.05  -0.09   0.05    -0.03   0.07  -0.08
     2   6    -0.03  -0.02   0.05     0.00  -0.00   0.04     0.01  -0.01   0.02
     3   6     0.09   0.03   0.01     0.01   0.15   0.00     0.02   0.08   0.04
     4   6    -0.08   0.01  -0.03    -0.04  -0.15  -0.04    -0.02  -0.08  -0.03
     5   6    -0.05   0.04  -0.00     0.10   0.07   0.01     0.04  -0.01  -0.02
     6   6    -0.02   0.05  -0.08     0.01  -0.02   0.00     0.01  -0.01  -0.03
     7   6     0.11  -0.10   0.05    -0.09   0.03   0.01    -0.04   0.01   0.03
     8   6    -0.03  -0.01   0.04     0.00  -0.02   0.01     0.03  -0.02   0.01
     9   8    -0.00  -0.02   0.01    -0.01   0.00   0.00     0.00   0.01   0.01
    10   6    -0.04  -0.02  -0.01    -0.05  -0.05   0.05    -0.03   0.06  -0.09
    11   6     0.03   0.00  -0.01     0.03   0.02  -0.09     0.02  -0.05   0.09
    12   1    -0.08   0.14  -0.18     0.17   0.15   0.14     0.05   0.05   0.07
    13   1    -0.01   0.10   0.23     0.14   0.22  -0.18     0.08   0.18  -0.00
    14   1     0.05   0.06  -0.31    -0.04  -0.14   0.06    -0.08  -0.13   0.01
    15   1     0.05  -0.14   0.25    -0.11  -0.09  -0.20    -0.05  -0.01  -0.09
    16   1    -0.19   0.22   0.07    -0.15  -0.16  -0.03    -0.15  -0.05   0.01
    17   1     0.32  -0.06  -0.32    -0.24  -0.03   0.11    -0.08  -0.02  -0.01
    18   1    -0.08   0.23  -0.13     0.14   0.31  -0.21     0.21  -0.07  -0.14
    19   1     0.05  -0.02  -0.08     0.00   0.04   0.00    -0.01   0.16   0.05
    20   1     0.04  -0.19  -0.11    -0.03  -0.07  -0.04    -0.07  -0.06  -0.04
    21   1     0.07   0.24   0.03    -0.01  -0.01  -0.02    -0.06  -0.07  -0.06
    22   1     0.02   0.06   0.05    -0.33   0.17   0.13     0.56  -0.18  -0.12
    23   1     0.15   0.00  -0.01     0.23   0.02  -0.15    -0.19  -0.02   0.28
    24   1    -0.18   0.07   0.11    -0.04   0.13  -0.04    -0.27  -0.06   0.25
    25   1    -0.03   0.09  -0.16    -0.00   0.18  -0.18    -0.04   0.02  -0.04
    26   1    -0.05  -0.05   0.10    -0.03   0.13  -0.09    -0.07  -0.12   0.21
    27   1    -0.06  -0.02   0.02    -0.02  -0.03   0.11    -0.09  -0.07   0.10
                     28                     29                     30
                      A                      A                      A
 Frequencies --    966.2582              1002.9684              1032.5153
 Red. masses --      1.6050                 1.7337                 1.4950
 Frc consts  --      0.8829                 1.0276                 0.9390
 IR Inten    --      2.4686                 0.0792                 0.7856
 RamAct Fr= 1--      4.3371                 2.1257                 1.9173
  Dep-P Fr= 1--      0.7364                 0.6432                 0.7329
  Dep-U Fr= 1--      0.8482                 0.7829                 0.8459
 Alpha2 Fr= 1--      0.0010                 0.0041                 0.0006
 Beta2  Fr= 1--      0.6131                 0.2774                 0.2703
 AlphaG Fr= 1--     -0.0012                 0.0154                -0.0003
 Gamma2 Fr= 1--      0.0045                 0.3525                -0.3254
 Delta2 Fr= 1--     -1.3970                 0.2411                -0.4076
 Raman1 Fr= 1--      17.348                  8.503                  7.669
 ROA1   Fr= 1--     -44.270                 41.559                -44.286
 CID1   Fr= 1--      -2.552                  4.888                 -5.775
 Raman2 Fr= 1--       7.357                  3.328                  3.244
 ROA2   Fr= 1--      11.284                  6.531                 -4.550
 CID2   Fr= 1--       1.534                  1.962                 -1.403
 Raman3 Fr= 1--      14.714                  6.656                  6.487
 ROA3   Fr= 1--     -44.270                 41.559                -44.286
 CID3   Fr= 1--      -3.009                  6.243                 -6.827
 RC180  Fr= 1--       0.696                  0.566                  0.692
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04   0.03     0.02  -0.00  -0.01    -0.01  -0.01   0.02
     2   6     0.00  -0.01   0.03     0.01  -0.00  -0.03    -0.01  -0.01   0.01
     3   6     0.03   0.05   0.03    -0.01  -0.09  -0.03    -0.01   0.04  -0.01
     4   6    -0.03  -0.04  -0.02     0.02   0.03   0.12    -0.00  -0.01  -0.06
     5   6     0.02  -0.01  -0.01     0.08   0.03  -0.11    -0.06  -0.03   0.09
     6   6     0.00  -0.00  -0.04    -0.00   0.02  -0.01     0.02  -0.05   0.02
     7   6    -0.00  -0.02   0.04    -0.08   0.00   0.03     0.03   0.04  -0.03
     8   6     0.02  -0.02   0.03    -0.01   0.02  -0.00     0.03   0.01  -0.03
     9   8     0.00   0.00   0.01    -0.00   0.00   0.00     0.01   0.01  -0.00
    10   6     0.10  -0.04  -0.03    -0.04  -0.05  -0.02    -0.02  -0.07  -0.05
    11   6    -0.10   0.05   0.02     0.04   0.06   0.05     0.04   0.08   0.03
    12   1     0.03   0.08   0.01    -0.01   0.07  -0.12    -0.02  -0.12   0.06
    13   1     0.04   0.09   0.03    -0.09  -0.19   0.07     0.04   0.09  -0.07
    14   1    -0.01  -0.03  -0.06     0.13   0.11   0.26    -0.08  -0.07  -0.18
    15   1    -0.02  -0.06  -0.02     0.04  -0.02   0.15    -0.01   0.03  -0.05
    16   1    -0.14   0.04   0.03    -0.07   0.01   0.04     0.07  -0.06  -0.04
    17   1     0.01  -0.05  -0.12    -0.27  -0.12  -0.03     0.19   0.16   0.11
    18   1     0.16  -0.07  -0.10     0.23   0.02  -0.26    -0.19  -0.08   0.27
    19   1     0.01   0.15   0.02     0.00  -0.06  -0.02    -0.05   0.00   0.09
    20   1    -0.06  -0.11  -0.07     0.04   0.04   0.02    -0.03   0.17   0.10
    21   1    -0.03   0.01  -0.05     0.03   0.05   0.03    -0.05  -0.21  -0.02
    22   1    -0.02   0.05  -0.01    -0.00   0.13   0.09     0.07   0.13   0.08
    23   1     0.21  -0.01  -0.15     0.30  -0.00  -0.07     0.37  -0.02  -0.06
    24   1     0.13   0.03  -0.10    -0.25   0.15   0.13    -0.28   0.16   0.15
    25   1     0.08  -0.40   0.46    -0.05  -0.11  -0.12    -0.05  -0.09  -0.14
    26   1     0.18   0.00  -0.24    -0.03  -0.29   0.27    -0.03  -0.26   0.25
    27   1     0.21   0.19  -0.38    -0.06   0.10  -0.31    -0.06   0.12  -0.32
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1039.7231              1057.4110              1102.1967
 Red. masses --      1.9694                 2.1714                 1.3159
 Frc consts  --      1.2544                 1.4305                 0.9419
 IR Inten    --     22.3124                20.8080                 1.8891
 RamAct Fr= 1--      2.6892                 1.2882                 1.7256
  Dep-P Fr= 1--      0.7059                 0.6672                 0.6795
  Dep-U Fr= 1--      0.8276                 0.8004                 0.8092
 Alpha2 Fr= 1--      0.0021                 0.0019                 0.0021
 Beta2  Fr= 1--      0.3709                 0.1718                 0.2327
 AlphaG Fr= 1--      0.0111                -0.0122                -0.0028
 Gamma2 Fr= 1--      0.2121                -0.5029                -1.0493
 Delta2 Fr= 1--      0.3509                 0.3157                -0.5390
 Raman1 Fr= 1--      10.757                  5.153                  6.902
 ROA1   Fr= 1--      31.587                -38.177               -117.977
 CID1   Fr= 1--       2.937                 -7.409                -17.093
 Raman2 Fr= 1--       4.451                  2.062                  2.793
 ROA2   Fr= 1--       2.283                -14.596                -20.871
 CID2   Fr= 1--       0.513                 -7.078                 -7.474
 Raman3 Fr= 1--       8.902                  4.124                  5.585
 ROA3   Fr= 1--      31.587                -38.177               -117.977
 CID3   Fr= 1--       3.548                 -9.256                -21.123
 RC180  Fr= 1--       0.655                  0.601                  0.618
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.00   0.01  -0.03     0.02   0.01  -0.03
     2   6     0.01   0.08   0.01     0.04   0.05  -0.01    -0.03   0.01   0.05
     3   6    -0.07  -0.01   0.02     0.09  -0.01  -0.01     0.02  -0.01  -0.03
     4   6     0.07  -0.03   0.02    -0.08  -0.03  -0.02    -0.05   0.03   0.02
     5   6    -0.01   0.01  -0.05     0.09  -0.00   0.07     0.04  -0.01  -0.01
     6   6    -0.05   0.18   0.05    -0.03   0.10   0.18     0.00   0.00   0.09
     7   6    -0.00  -0.12   0.00    -0.02  -0.05  -0.12    -0.00  -0.01  -0.05
     8   6     0.08  -0.08  -0.03    -0.05  -0.03  -0.01     0.03   0.00  -0.05
     9   8     0.03  -0.02  -0.01    -0.00  -0.02  -0.03     0.00  -0.00  -0.02
    10   6    -0.02  -0.03  -0.02    -0.02   0.01  -0.03    -0.01   0.01   0.01
    11   6    -0.02  -0.02   0.00    -0.02   0.01   0.02    -0.02  -0.01   0.00
    12   1     0.01  -0.14   0.15     0.11   0.47  -0.23    -0.15  -0.28  -0.04
    13   1     0.03   0.03  -0.14    -0.09  -0.22   0.20     0.03   0.14   0.04
    14   1    -0.06  -0.08   0.24     0.11   0.08  -0.11     0.03   0.06  -0.18
    15   1    -0.00   0.16  -0.06    -0.10  -0.29  -0.23     0.10   0.00   0.42
    16   1     0.04   0.18   0.06     0.08  -0.16  -0.13    -0.42  -0.33  -0.15
    17   1     0.09  -0.11  -0.18    -0.10  -0.05   0.08     0.20   0.13   0.07
    18   1    -0.38   0.37   0.04    -0.12  -0.02   0.30     0.20   0.10  -0.25
    19   1    -0.04   0.21   0.12     0.02  -0.22  -0.12    -0.06  -0.06   0.08
    20   1    -0.16  -0.02  -0.02     0.09  -0.08  -0.03    -0.02   0.18   0.10
    21   1    -0.16  -0.38  -0.18     0.07   0.11   0.06    -0.04  -0.25  -0.01
    22   1     0.03   0.06   0.04     0.12  -0.02  -0.02    -0.05  -0.00   0.00
    23   1     0.14  -0.00  -0.01     0.01   0.00   0.04    -0.04   0.01  -0.00
    24   1    -0.15   0.09   0.07    -0.10   0.01   0.07     0.02  -0.00  -0.01
    25   1     0.02  -0.01   0.08     0.01  -0.10   0.10     0.02  -0.03   0.09
    26   1     0.02   0.07  -0.08     0.03  -0.03  -0.02     0.02   0.04  -0.06
    27   1     0.04  -0.02   0.06     0.02   0.04  -0.07     0.03  -0.01   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1120.4900              1150.6750              1173.3680
 Red. masses --      1.4432                 2.0119                 2.4792
 Frc consts  --      1.0676                 1.5695                 2.0111
 IR Inten    --      3.7993                 1.0148                 0.5374
 RamAct Fr= 1--      5.1075                 1.1286                 4.0154
  Dep-P Fr= 1--      0.7448                 0.6987                 0.7497
  Dep-U Fr= 1--      0.8537                 0.8227                 0.8570
 Alpha2 Fr= 1--      0.0005                 0.0010                 0.0000
 Beta2  Fr= 1--      0.7267                 0.1547                 0.5735
 AlphaG Fr= 1--     -0.0003                 0.0105                 0.0040
 Gamma2 Fr= 1--      0.9955                -0.5234                 1.5611
 Delta2 Fr= 1--      0.1064                -0.8544                 0.1633
 Raman1 Fr= 1--      20.430                  4.515                 16.062
 ROA1   Fr= 1--      98.970                -77.583                155.094
 CID1   Fr= 1--       4.844                -17.185                  9.656
 Raman2 Fr= 1--       8.721                  1.857                  6.882
 ROA2   Fr= 1--      23.040                 -5.726                 36.161
 CID2   Fr= 1--       2.642                 -3.083                  5.254
 Raman3 Fr= 1--      17.441                  3.714                 13.764
 ROA3   Fr= 1--      98.970                -77.583                155.094
 CID3   Fr= 1--       5.674                -20.890                 11.268
 RC180  Fr= 1--       0.707                  0.645                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.06    -0.11  -0.06   0.11    -0.03   0.07   0.16
     2   6     0.07  -0.01   0.07    -0.04  -0.04   0.14    -0.14   0.11  -0.08
     3   6     0.00   0.03  -0.02     0.03   0.04  -0.07     0.09  -0.05   0.03
     4   6     0.04  -0.01  -0.03    -0.03  -0.01  -0.01    -0.07   0.07  -0.03
     5   6    -0.01  -0.03   0.00    -0.00   0.03   0.03     0.03  -0.12   0.01
     6   6     0.02  -0.06  -0.03    -0.02   0.07  -0.04     0.04  -0.08  -0.00
     7   6    -0.02   0.01   0.03     0.06  -0.02  -0.01    -0.03   0.04  -0.02
     8   6    -0.07   0.02  -0.05     0.03   0.03  -0.09     0.06  -0.05   0.04
     9   8    -0.01   0.01   0.01     0.01  -0.02   0.00     0.02   0.02  -0.00
    10   6    -0.02  -0.00  -0.06     0.05   0.03  -0.03     0.02  -0.04  -0.05
    11   6    -0.05  -0.01  -0.03     0.03   0.02  -0.05     0.02  -0.04  -0.06
    12   1     0.02  -0.01   0.01    -0.05  -0.04  -0.10    -0.15  -0.09  -0.16
    13   1    -0.10  -0.27   0.01    -0.08  -0.14   0.05    -0.03  -0.03   0.27
    14   1     0.07   0.05   0.37     0.07   0.07   0.15     0.20   0.26   0.19
    15   1     0.01   0.09  -0.05    -0.00  -0.03   0.05    -0.02  -0.20  -0.06
    16   1    -0.09  -0.01   0.02     0.18   0.10   0.02     0.16  -0.00  -0.00
    17   1     0.25   0.18   0.05    -0.44  -0.35  -0.14    -0.07   0.05   0.10
    18   1    -0.16   0.35  -0.16     0.16  -0.12  -0.01    -0.03   0.17  -0.16
    19   1    -0.02  -0.35  -0.09    -0.11  -0.15   0.14     0.01   0.29   0.08
    20   1     0.17   0.12   0.09     0.00   0.32   0.18    -0.20  -0.17  -0.12
    21   1     0.11   0.07   0.16    -0.02  -0.33   0.04    -0.13  -0.08  -0.19
    22   1     0.22  -0.00  -0.02     0.17  -0.10  -0.08     0.15   0.06   0.02
    23   1     0.06  -0.01   0.10    -0.07  -0.01   0.07     0.20  -0.02   0.01
    24   1    -0.20   0.03   0.14     0.08  -0.11   0.00    -0.11   0.06   0.06
    25   1     0.04  -0.02   0.15    -0.02   0.10  -0.17     0.02   0.21  -0.07
    26   1     0.05   0.14  -0.20    -0.04   0.03   0.01    -0.07   0.19  -0.07
    27   1     0.09   0.01   0.03    -0.06  -0.00  -0.01    -0.01  -0.08   0.19
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1191.9830              1218.6914              1228.3190
 Red. masses --      1.6685                 1.9588                 1.7583
 Frc consts  --      1.3967                 1.7141                 1.5630
 IR Inten    --      3.3791                 1.0053                 3.2303
 RamAct Fr= 1--      1.8621                 2.1744                 2.7001
  Dep-P Fr= 1--      0.7463                 0.7050                 0.6154
  Dep-U Fr= 1--      0.8547                 0.8270                 0.7619
 Alpha2 Fr= 1--      0.0001                 0.0017                 0.0067
 Beta2  Fr= 1--      0.2653                 0.2997                 0.3429
 AlphaG Fr= 1--      0.0000                 0.0049                -0.0320
 Gamma2 Fr= 1--      1.0824                -1.1834                -0.7345
 Delta2 Fr= 1--      0.5288                -0.9169                -1.0196
 Raman1 Fr= 1--       7.449                  8.697                 10.800
 ROA1   Fr= 1--     120.828               -142.944               -103.137
 CID1   Fr= 1--      16.222                -16.435                 -9.549
 Raman2 Fr= 1--       3.183                  3.596                  4.115
 ROA2   Fr= 1--      21.746                -21.066                 -9.470
 CID2   Fr= 1--       6.831                 -5.857                 -2.302
 Raman3 Fr= 1--       6.367                  7.193                  8.229
 ROA3   Fr= 1--     120.828               -142.944               -103.137
 CID3   Fr= 1--      18.979                -19.873                -12.533
 RC180  Fr= 1--       0.709                  0.654                  0.524
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.09  -0.00    -0.10  -0.05   0.04    -0.08   0.17   0.03
     2   6    -0.10  -0.11  -0.06     0.08   0.15  -0.07    -0.02  -0.03   0.03
     3   6     0.01  -0.03   0.01    -0.04   0.05   0.04    -0.02  -0.02  -0.01
     4   6     0.05   0.01  -0.01     0.06  -0.03  -0.04     0.04  -0.03   0.01
     5   6    -0.00   0.03  -0.00    -0.07   0.00   0.04    -0.05   0.05  -0.06
     6   6     0.01  -0.01   0.05    -0.01  -0.01   0.05     0.00   0.00   0.04
     7   6     0.01  -0.00   0.02     0.08   0.01  -0.04     0.01  -0.04  -0.00
     8   6     0.05   0.05   0.02    -0.03  -0.06   0.04    -0.00   0.01  -0.03
     9   8     0.02   0.00  -0.01    -0.02  -0.01  -0.01     0.01   0.00  -0.01
    10   6     0.03   0.05   0.01     0.03   0.00  -0.01     0.02  -0.07   0.01
    11   6     0.03   0.04   0.00     0.05   0.03  -0.00     0.04  -0.07  -0.03
    12   1     0.12   0.37  -0.10     0.03  -0.08   0.16     0.19   0.44  -0.06
    13   1    -0.02  -0.09   0.03    -0.17  -0.47  -0.02    -0.03  -0.08  -0.01
    14   1     0.04   0.03   0.23    -0.11  -0.12   0.03    -0.06  -0.10   0.04
    15   1    -0.04   0.04  -0.25     0.11   0.23   0.27     0.00   0.07  -0.04
    16   1    -0.36  -0.16  -0.04    -0.23  -0.22  -0.11    -0.18  -0.09  -0.03
    17   1     0.25   0.14   0.03    -0.09  -0.10  -0.03     0.26   0.11  -0.02
    18   1    -0.20   0.40  -0.09     0.24   0.02  -0.29     0.18  -0.41   0.07
    19   1    -0.01   0.20   0.10     0.07  -0.01  -0.11    -0.03  -0.05   0.03
    20   1    -0.08   0.09   0.04     0.00  -0.26  -0.14     0.01   0.09   0.05
    21   1    -0.03   0.00  -0.04    -0.02   0.11  -0.05     0.01  -0.04   0.03
    22   1     0.04  -0.12  -0.08     0.05  -0.04  -0.03    -0.07   0.12   0.09
    23   1    -0.15   0.01   0.03     0.01  -0.00  -0.01     0.25  -0.01  -0.15
    24   1     0.14  -0.11  -0.05     0.06  -0.04  -0.02     0.02   0.13  -0.08
    25   1    -0.03  -0.04  -0.10    -0.03   0.04  -0.16     0.03   0.21  -0.07
    26   1    -0.02  -0.10   0.11    -0.05  -0.05   0.12    -0.13   0.13   0.05
    27   1    -0.07   0.04  -0.12    -0.11   0.01  -0.06    -0.08  -0.14   0.28
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1248.4819              1268.2079              1275.5231
 Red. masses --      1.7892                 1.9539                 1.5113
 Frc consts  --      1.6431                 1.8516                 1.4487
 IR Inten    --      1.7872                 0.0451                 3.0669
 RamAct Fr= 1--      5.0952                 1.3146                 5.6559
  Dep-P Fr= 1--      0.5941                 0.5948                 0.7369
  Dep-U Fr= 1--      0.7454                 0.7459                 0.8485
 Alpha2 Fr= 1--      0.0148                 0.0038                 0.0013
 Beta2  Fr= 1--      0.6330                 0.1634                 0.7998
 AlphaG Fr= 1--      0.0221                -0.0041                -0.0038
 Gamma2 Fr= 1--      0.2341                 0.2292                 2.3500
 Delta2 Fr= 1--     -0.7479                 0.4026                 1.1496
 Raman1 Fr= 1--      20.381                  5.258                 22.623
 ROA1   Fr= 1--      -1.462                 34.885                262.387
 CID1   Fr= 1--      -0.072                  6.634                 11.598
 Raman2 Fr= 1--       7.596                  1.961                  9.598
 ROA2   Fr= 1--      11.601                  2.279                 47.204
 CID2   Fr= 1--       1.527                  1.162                  4.918
 Raman3 Fr= 1--      15.191                  3.922                 19.196
 ROA3   Fr= 1--      -1.462                 34.885                262.387
 CID3   Fr= 1--      -0.096                  8.894                 13.669
 RC180  Fr= 1--       0.491                  0.492                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.05   0.17    -0.10  -0.07   0.06    -0.06  -0.04   0.08
     2   6     0.00  -0.05  -0.06     0.02   0.07   0.03     0.11   0.02  -0.03
     3   6    -0.09  -0.05   0.02    -0.01   0.03  -0.04    -0.01  -0.06  -0.00
     4   6     0.03   0.04   0.00     0.00   0.00   0.09    -0.03   0.02   0.03
     5   6     0.02  -0.03  -0.02     0.09   0.05  -0.05    -0.04   0.05  -0.05
     6   6    -0.01   0.03   0.03     0.02  -0.04  -0.02    -0.01   0.01   0.04
     7   6     0.00   0.01  -0.01    -0.15  -0.09  -0.02     0.03  -0.02  -0.00
     8   6     0.00   0.02   0.01    -0.00  -0.02  -0.01    -0.04  -0.01   0.01
     9   8     0.00  -0.01  -0.01     0.02   0.02   0.01    -0.01  -0.00  -0.00
    10   6    -0.03   0.02  -0.07     0.03   0.04  -0.01     0.01   0.01  -0.03
    11   6    -0.04   0.01  -0.05     0.03   0.01  -0.01     0.02   0.01  -0.02
    12   1     0.19   0.41   0.03    -0.02  -0.12   0.03    -0.10  -0.28   0.02
    13   1     0.09   0.21  -0.20    -0.09  -0.16   0.01     0.24   0.62  -0.08
    14   1    -0.16  -0.13  -0.48    -0.10  -0.11  -0.43     0.11   0.14   0.24
    15   1     0.11   0.14   0.27    -0.04  -0.05  -0.05    -0.12  -0.18  -0.33
    16   1    -0.01  -0.02  -0.01     0.30   0.27   0.09    -0.22  -0.10  -0.04
    17   1    -0.12  -0.06   0.00     0.52   0.34   0.12     0.10   0.02  -0.02
    18   1     0.06  -0.05  -0.05     0.06   0.00   0.02     0.03  -0.16   0.05
    19   1     0.01   0.04  -0.00    -0.01  -0.04   0.00     0.04  -0.06  -0.09
    20   1    -0.00   0.02   0.01    -0.01  -0.04  -0.03     0.10  -0.06  -0.02
    21   1     0.01   0.06  -0.00    -0.01  -0.05  -0.01     0.03   0.06   0.05
    22   1     0.25  -0.01  -0.03     0.08  -0.10  -0.07     0.11  -0.04  -0.03
    23   1     0.02  -0.01   0.18    -0.07   0.01   0.03     0.03  -0.00   0.04
    24   1    -0.17  -0.05   0.14     0.09  -0.10  -0.02    -0.00  -0.05   0.01
    25   1     0.02   0.04   0.06    -0.02   0.04  -0.13    -0.01   0.04  -0.09
    26   1     0.05   0.11  -0.17    -0.03   0.00   0.04    -0.02   0.02   0.01
    27   1     0.10   0.04  -0.04    -0.07   0.00  -0.05    -0.05   0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1302.5950              1328.2324              1335.7280
 Red. masses --      2.1532                 1.7044                 1.4893
 Frc consts  --      2.1526                 1.7717                 1.5655
 IR Inten    --      8.4663                 1.9652                 1.1022
 RamAct Fr= 1--      2.8179                 4.3116                 2.1287
  Dep-P Fr= 1--      0.7348                 0.6089                 0.7117
  Dep-U Fr= 1--      0.8471                 0.7569                 0.8316
 Alpha2 Fr= 1--      0.0007                 0.0112                 0.0014
 Beta2  Fr= 1--      0.3978                 0.5439                 0.2950
 AlphaG Fr= 1--      0.0135                 0.0019                 0.0114
 Gamma2 Fr= 1--      1.1374                 1.3254                -0.6334
 Delta2 Fr= 1--      1.3142                 0.7735                -0.4658
 Raman1 Fr= 1--      11.272                 17.247                  8.515
 ROA1   Fr= 1--     151.245                151.985                -75.711
 CID1   Fr= 1--      13.418                  8.812                 -8.892
 Raman2 Fr= 1--       4.774                  6.527                  3.540
 ROA2   Fr= 1--      16.783                 25.621                -11.475
 CID2   Fr= 1--       3.515                  3.925                 -3.241
 Raman3 Fr= 1--       9.548                 13.054                  7.081
 ROA3   Fr= 1--     151.245                151.985                -75.711
 CID3   Fr= 1--      15.840                 11.643                -10.693
 RC180  Fr= 1--       0.694                  0.514                  0.663
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.13  -0.07   0.03     0.10  -0.05  -0.01     0.02  -0.05   0.02
     2   6    -0.08   0.13   0.06    -0.05   0.02   0.00    -0.02   0.03  -0.01
     3   6     0.04   0.02  -0.04     0.01  -0.03   0.01    -0.00  -0.01   0.03
     4   6     0.03  -0.02   0.10     0.02  -0.00  -0.04    -0.06  -0.06  -0.11
     5   6    -0.07   0.06  -0.11    -0.12   0.07   0.10     0.06   0.09  -0.05
     6   6     0.02  -0.05  -0.02    -0.01   0.02   0.01     0.01  -0.02  -0.01
     7   6     0.07   0.05   0.05    -0.04  -0.07  -0.06    -0.03  -0.01   0.01
     8   6     0.03  -0.03  -0.01     0.02  -0.00   0.00     0.01  -0.01   0.01
     9   8    -0.01   0.00   0.00     0.01   0.00  -0.00     0.00   0.01   0.00
    10   6    -0.03   0.03  -0.01    -0.02   0.01  -0.01    -0.01   0.02  -0.00
    11   6    -0.04   0.01  -0.01    -0.03   0.03  -0.00    -0.01   0.01  -0.00
    12   1     0.01   0.05  -0.07     0.02   0.14  -0.07     0.03   0.08   0.01
    13   1    -0.14  -0.29   0.12     0.04   0.06   0.00     0.01   0.02   0.02
    14   1    -0.07  -0.10  -0.12     0.08   0.07   0.28     0.12   0.10   0.44
    15   1    -0.14  -0.11  -0.41    -0.03   0.06  -0.16     0.15   0.13   0.57
    16   1    -0.38  -0.22  -0.05     0.27   0.16   0.01    -0.05   0.07   0.03
    17   1    -0.01  -0.03  -0.07     0.24   0.12   0.05     0.12   0.10   0.07
    18   1    -0.10  -0.35   0.24     0.59  -0.21  -0.40    -0.14  -0.29   0.45
    19   1    -0.02  -0.04   0.05    -0.00   0.02   0.03     0.01   0.03   0.00
    20   1    -0.12  -0.07  -0.06    -0.06   0.00  -0.01    -0.04  -0.03  -0.02
    21   1    -0.08  -0.15  -0.09    -0.04  -0.04  -0.05    -0.02   0.00  -0.04
    22   1     0.05  -0.02  -0.02     0.00   0.01   0.00     0.04  -0.05  -0.03
    23   1    -0.06   0.00   0.10    -0.02  -0.00   0.07    -0.02   0.01   0.04
    24   1    -0.07  -0.05   0.07    -0.05  -0.04   0.05     0.02  -0.06   0.01
    25   1     0.01  -0.06   0.10     0.01  -0.09   0.09    -0.00  -0.02   0.00
    26   1     0.08  -0.00  -0.12     0.06  -0.07  -0.05     0.03  -0.03  -0.02
    27   1     0.11   0.04  -0.03     0.08   0.04  -0.01     0.03   0.02  -0.02
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1350.1459              1409.5625              1416.5965
 Red. masses --      2.3458                 1.2380                 1.2818
 Frc consts  --      2.5194                 1.4493                 1.5155
 IR Inten    --      5.1502                 6.8337                 6.7660
 RamAct Fr= 1--      5.2389                 0.0962                 0.3926
  Dep-P Fr= 1--      0.4497                 0.5117                 0.2043
  Dep-U Fr= 1--      0.6204                 0.6770                 0.3393
 Alpha2 Fr= 1--      0.0322                 0.0004                 0.0053
 Beta2  Fr= 1--      0.5417                 0.0109                 0.0222
 AlphaG Fr= 1--      0.0044                -0.0037                -0.0030
 Gamma2 Fr= 1--      0.6447                -0.0474                -0.0626
 Delta2 Fr= 1--     -0.3644                 0.0029                -0.0066
 Raman1 Fr= 1--      20.955                  0.385                  1.571
 ROA1   Fr= 1--      50.230                 -4.459                 -6.221
 CID1   Fr= 1--       2.397                -11.587                 -3.961
 Raman2 Fr= 1--       6.500                  0.130                  0.266
 ROA2   Fr= 1--      18.388                 -1.161                 -1.450
 CID2   Fr= 1--       2.829                 -8.914                 -5.440
 Raman3 Fr= 1--      13.000                  0.261                  0.533
 ROA3   Fr= 1--      50.230                 -4.459                 -6.221
 CID3   Fr= 1--       3.864                -17.115                -11.673
 RC180  Fr= 1--       0.241                  0.354                 -0.321
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.03  -0.08     0.02   0.00  -0.02     0.00  -0.01   0.00
     2   6     0.02   0.20   0.15    -0.01   0.00   0.01     0.00   0.04   0.02
     3   6    -0.05  -0.14  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.01   0.03  -0.03     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6     0.00  -0.06   0.03    -0.01  -0.00   0.01    -0.00  -0.00  -0.00
     6   6     0.02  -0.08  -0.07     0.00  -0.00  -0.00     0.01  -0.00  -0.00
     7   6     0.01   0.03   0.01     0.00  -0.00  -0.01     0.00   0.00   0.00
     8   6    -0.01  -0.04  -0.05     0.00  -0.00  -0.01    -0.02  -0.13  -0.06
     9   8    -0.00   0.01   0.01    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    10   6     0.03   0.01   0.02    -0.10   0.02   0.04    -0.02   0.01   0.01
    11   6     0.02   0.01   0.03    -0.00  -0.05   0.08    -0.00   0.02  -0.03
    12   1     0.26   0.62  -0.11     0.03   0.01   0.01     0.00   0.01  -0.01
    13   1     0.15   0.43  -0.05    -0.02   0.01   0.04    -0.00  -0.01  -0.00
    14   1    -0.01   0.01  -0.02    -0.03  -0.02   0.02    -0.01  -0.01  -0.01
    15   1     0.04   0.03   0.05     0.01  -0.03  -0.01    -0.00  -0.01  -0.01
    16   1     0.05  -0.04   0.00    -0.02   0.04   0.00     0.00  -0.03  -0.00
    17   1    -0.06  -0.02  -0.02    -0.03  -0.00   0.06     0.00  -0.00  -0.02
    18   1    -0.10   0.23  -0.11     0.01   0.01  -0.02    -0.00  -0.01  -0.00
    19   1    -0.05  -0.15   0.02    -0.03   0.01   0.04    -0.14   0.54   0.12
    20   1    -0.01  -0.04  -0.04    -0.02   0.01   0.00     0.07   0.34   0.36
    21   1    -0.02  -0.18   0.02     0.02   0.01   0.02     0.31   0.43   0.13
    22   1    -0.12  -0.05  -0.03     0.37  -0.16   0.01     0.07  -0.03  -0.00
    23   1    -0.13   0.00  -0.07     0.42   0.09  -0.11     0.10   0.02   0.01
    24   1     0.03   0.02   0.00     0.30  -0.18  -0.29     0.07  -0.08  -0.06
    25   1    -0.03  -0.05  -0.07    -0.13   0.19  -0.25     0.04  -0.07   0.09
    26   1     0.00  -0.01   0.04     0.11   0.28  -0.22    -0.02  -0.15   0.08
    27   1    -0.08   0.01  -0.08     0.01   0.05  -0.37     0.03  -0.01   0.15
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1430.9992              1462.3304              1485.5140
 Red. masses --      1.2098                 1.0861                 1.0531
 Frc consts  --      1.4596                 1.3684                 1.3692
 IR Inten    --     11.1322                12.1873                 3.9119
 RamAct Fr= 1--      0.6710                 8.6717                 2.7808
  Dep-P Fr= 1--      0.1808                 0.6446                 0.7500
  Dep-U Fr= 1--      0.3062                 0.7839                 0.8571
 Alpha2 Fr= 1--      0.0096                 0.0165                 0.0000
 Beta2  Fr= 1--      0.0342                 1.1329                 0.3973
 AlphaG Fr= 1--     -0.0179                 0.0259                 0.0000
 Gamma2 Fr= 1--      0.0180                 1.4271                 0.8950
 Delta2 Fr= 1--      0.0455                 1.0075                 0.1492
 Raman1 Fr= 1--       2.684                 34.687                 11.123
 ROA1   Fr= 1--       3.184                169.239                 90.692
 CID1   Fr= 1--       1.186                  4.879                  8.153
 Raman2 Fr= 1--       0.411                 13.595                  4.767
 ROA2   Fr= 1--       0.068                 26.189                 20.285
 CID2   Fr= 1--       0.166                  1.926                  4.255
 Raman3 Fr= 1--       0.822                 27.190                  9.534
 ROA3   Fr= 1--       3.184                169.239                 90.692
 CID3   Fr= 1--       3.874                  6.224                  9.512
 RC180  Fr= 1--      -0.388                  0.568                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.01  -0.01   0.01
     2   6     0.00  -0.00   0.01    -0.00   0.01   0.01    -0.00  -0.00   0.01
     3   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00    -0.01  -0.01  -0.03
     4   6     0.00   0.01  -0.00     0.01   0.02   0.00    -0.01  -0.01   0.00
     5   6     0.01  -0.01   0.00    -0.01  -0.01  -0.00     0.00  -0.00  -0.00
     6   6    -0.00  -0.00  -0.01     0.00  -0.01  -0.01     0.00   0.00  -0.00
     7   6    -0.01   0.01   0.01     0.05  -0.04  -0.05     0.00  -0.00  -0.00
     8   6     0.00   0.04   0.01    -0.00   0.00   0.00    -0.00  -0.01   0.02
     9   8     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   6    -0.08   0.02   0.03    -0.00   0.00   0.01    -0.00  -0.03   0.01
    11   6    -0.00   0.05  -0.08    -0.01   0.00  -0.02    -0.01   0.02   0.01
    12   1     0.04   0.01   0.03     0.01   0.01   0.01     0.20  -0.03   0.18
    13   1    -0.01   0.04   0.03    -0.00   0.01   0.01    -0.12   0.09   0.25
    14   1    -0.03  -0.01  -0.01    -0.11  -0.06   0.02     0.10   0.06  -0.05
    15   1     0.01  -0.02   0.01     0.03  -0.12  -0.01    -0.03   0.12  -0.02
    16   1     0.07  -0.09  -0.00    -0.36   0.54   0.03    -0.03   0.03   0.00
    17   1     0.01  -0.01  -0.12    -0.18   0.02   0.63    -0.01   0.00   0.04
    18   1    -0.03   0.04  -0.01    -0.01   0.02  -0.02     0.00   0.01  -0.01
    19   1     0.04  -0.15  -0.04     0.01  -0.01  -0.02     0.15   0.01  -0.22
    20   1     0.02  -0.12  -0.12     0.02  -0.00  -0.00     0.04   0.13   0.14
    21   1    -0.09  -0.17  -0.01    -0.02  -0.03  -0.01    -0.14   0.04  -0.21
    22   1     0.30  -0.12   0.00     0.01  -0.06  -0.03     0.29   0.19   0.16
    23   1     0.34   0.07  -0.06     0.01   0.02  -0.08    -0.26  -0.05  -0.01
    24   1     0.24  -0.16  -0.23    -0.01   0.01   0.01     0.06   0.37  -0.25
    25   1     0.13  -0.23   0.26     0.06   0.11   0.11    -0.12  -0.09  -0.22
    26   1    -0.09  -0.34   0.22    -0.06  -0.13   0.11     0.23  -0.16  -0.15
    27   1     0.01  -0.05   0.42     0.16   0.02   0.04     0.07  -0.00   0.16
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1489.5300              1493.7232              1498.9674
 Red. masses --      1.0481                 1.0511                 1.0556
 Frc consts  --      1.3700                 1.3817                 1.3975
 IR Inten    --      6.7730                 5.9657                 4.0733
 RamAct Fr= 1--      9.4921                 4.3438                 1.6924
  Dep-P Fr= 1--      0.7303                 0.6897                 0.7442
  Dep-U Fr= 1--      0.8441                 0.8164                 0.8533
 Alpha2 Fr= 1--      0.0032                 0.0046                 0.0002
 Beta2  Fr= 1--      1.3354                 0.5910                 0.2407
 AlphaG Fr= 1--      0.0087                 0.0061                 0.0017
 Gamma2 Fr= 1--     -2.6082                 0.6400                -2.0093
 Delta2 Fr= 1--     -0.9901                 0.2142                -0.7188
 Raman1 Fr= 1--      37.968                 17.375                  6.770
 ROA1   Fr= 1--    -282.072                 68.295               -215.899
 CID1   Fr= 1--      -7.429                  3.931                -31.892
 Raman2 Fr= 1--      16.025                  7.092                  2.888
 ROA2   Fr= 1--     -54.677                 13.646                -42.473
 CID2   Fr= 1--      -3.412                  1.924                -14.705
 Raman3 Fr= 1--      32.050                 14.185                  5.777
 ROA3   Fr= 1--    -282.072                 68.295               -215.899
 CID3   Fr= 1--      -8.801                  4.815                -37.373
 RC180  Fr= 1--       0.688                  0.633                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.01     0.00  -0.00  -0.01
     2   6    -0.00   0.00  -0.02    -0.02   0.00  -0.01    -0.02   0.00   0.00
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.01    -0.00  -0.01  -0.03
     4   6    -0.00  -0.01   0.00     0.01   0.01  -0.01    -0.01  -0.03   0.01
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.01  -0.01    -0.01   0.00   0.00     0.00   0.00  -0.00
     8   6     0.00   0.02  -0.03    -0.04   0.02  -0.01    -0.03  -0.00   0.01
     9   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   6    -0.01  -0.01  -0.03     0.01   0.00   0.02    -0.00   0.01  -0.02
    11   6     0.01   0.02   0.01    -0.02   0.00   0.01     0.01  -0.02  -0.01
    12   1     0.04  -0.01   0.05    -0.06   0.02  -0.06     0.20  -0.02   0.17
    13   1    -0.03   0.01   0.06     0.02  -0.05  -0.06    -0.11   0.06   0.24
    14   1     0.10   0.05  -0.05    -0.10  -0.05   0.05     0.23   0.12  -0.10
    15   1    -0.03   0.11  -0.01     0.03  -0.10   0.02    -0.08   0.26  -0.04
    16   1    -0.08   0.12   0.01     0.04  -0.06  -0.00    -0.01   0.02   0.00
    17   1    -0.04   0.01   0.13     0.03   0.00  -0.06    -0.01  -0.00   0.03
    18   1    -0.01  -0.00  -0.00     0.01  -0.01   0.00    -0.01   0.01  -0.00
    19   1    -0.24   0.04   0.33     0.01   0.33  -0.06     0.16   0.23  -0.26
    20   1     0.01  -0.23  -0.23     0.51  -0.17  -0.07     0.39   0.00   0.08
    21   1     0.24  -0.11   0.38     0.06  -0.36   0.31    -0.11  -0.22   0.00
    22   1     0.01   0.31   0.16     0.02  -0.17  -0.08    -0.16   0.10   0.01
    23   1    -0.02  -0.06   0.33    -0.06   0.03  -0.23     0.14  -0.02   0.25
    24   1     0.11  -0.04  -0.13    -0.09   0.11   0.06     0.05  -0.25   0.05
    25   1    -0.06  -0.27  -0.11    -0.10   0.08  -0.18     0.10   0.11   0.18
    26   1     0.11   0.04  -0.11     0.19  -0.18  -0.11    -0.19   0.14   0.13
    27   1    -0.21  -0.05   0.11     0.21   0.03   0.10    -0.03   0.01  -0.17
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1504.1911              1513.6522              1518.6476
 Red. masses --      1.0554                 1.0668                 1.0677
 Frc consts  --      1.4069                 1.4401                 1.4508
 IR Inten    --      3.8045                 0.4354                 6.1576
 RamAct Fr= 1--      2.4513                 4.5004                 2.1630
  Dep-P Fr= 1--      0.7358                 0.7047                 0.7038
  Dep-U Fr= 1--      0.8478                 0.8268                 0.8262
 Alpha2 Fr= 1--      0.0006                 0.0035                 0.0017
 Beta2  Fr= 1--      0.3464                 0.6201                 0.2978
 AlphaG Fr= 1--      0.0082                -0.0083                 0.0083
 Gamma2 Fr= 1--     -0.0951                 1.3989                 0.8569
 Delta2 Fr= 1--     -0.1986                 0.6208                 0.3515
 Raman1 Fr= 1--       9.805                 18.002                  8.652
 ROA1   Fr= 1--     -15.488                154.160                 93.505
 CID1   Fr= 1--      -1.580                  8.564                 10.807
 Raman2 Fr= 1--       4.156                  7.442                  3.574
 ROA2   Fr= 1--      -0.694                 28.608                 17.753
 CID2   Fr= 1--      -0.167                  3.844                  4.967
 Raman3 Fr= 1--       8.313                 14.883                  7.148
 ROA3   Fr= 1--     -15.488                154.160                 93.505
 CID3   Fr= 1--      -1.863                 10.358                 13.081
 RC180  Fr= 1--       0.696                  0.654                  0.652
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02   0.01    -0.03   0.02  -0.01     0.01   0.03   0.01
     2   6     0.01  -0.00  -0.02     0.01   0.00   0.00     0.00  -0.01  -0.01
     3   6    -0.01  -0.01  -0.03    -0.00  -0.00   0.01    -0.01  -0.00  -0.05
     4   6    -0.01  -0.01  -0.00    -0.01  -0.03   0.01     0.00   0.01  -0.01
     5   6    -0.00   0.00   0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.00
     6   6     0.00   0.01   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     7   6    -0.01   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6     0.01   0.01  -0.02     0.01   0.00  -0.00     0.01   0.00  -0.00
     9   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   6     0.00  -0.01   0.02     0.01   0.01  -0.02     0.01   0.02   0.01
    11   6    -0.01  -0.02  -0.02    -0.04  -0.00   0.02     0.01   0.02   0.01
    12   1     0.20  -0.06   0.20    -0.02   0.00  -0.01     0.31  -0.08   0.29
    13   1    -0.11   0.09   0.25     0.02   0.00  -0.03    -0.18   0.12   0.38
    14   1     0.13   0.07  -0.05     0.21   0.11  -0.10    -0.09  -0.04   0.04
    15   1    -0.04   0.16  -0.02    -0.07   0.24  -0.05     0.03  -0.10   0.01
    16   1     0.05  -0.07  -0.01    -0.00  -0.03  -0.00    -0.01   0.03   0.00
    17   1     0.02  -0.00  -0.08    -0.00  -0.01  -0.01    -0.01  -0.00   0.02
    18   1     0.01   0.00  -0.01    -0.02   0.02  -0.01     0.02  -0.01  -0.01
    19   1    -0.19  -0.05   0.28    -0.04  -0.13   0.07    -0.03  -0.03   0.05
    20   1    -0.14  -0.12  -0.15    -0.17   0.00  -0.03    -0.08   0.01  -0.01
    21   1     0.18   0.04   0.21     0.01   0.09  -0.04     0.03   0.06  -0.00
    22   1     0.15  -0.12  -0.03    -0.22   0.01  -0.05    -0.22  -0.30  -0.20
    23   1    -0.17   0.01  -0.25     0.19   0.00   0.16     0.14   0.06  -0.21
    24   1    -0.06   0.25  -0.04     0.02  -0.29   0.12    -0.15  -0.17   0.27
    25   1     0.11   0.32   0.20    -0.12   0.27  -0.23    -0.08  -0.27  -0.14
    26   1    -0.19  -0.02   0.18     0.24  -0.37  -0.08     0.14   0.04  -0.15
    27   1     0.24   0.07  -0.16     0.47   0.07   0.16    -0.20  -0.06   0.14
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1527.4122              1817.0273              3033.6406
 Red. masses --      1.0784                12.5045                 1.0390
 Frc consts  --      1.4823                24.3243                 5.6335
 IR Inten    --      6.1613               250.4366                12.7168
 RamAct Fr= 1--      5.5607                21.4806                 8.2737
  Dep-P Fr= 1--      0.5438                 0.5269                 0.7363
  Dep-U Fr= 1--      0.7045                 0.6902                 0.8481
 Alpha2 Fr= 1--      0.0220                 0.0930                 0.0019
 Beta2  Fr= 1--      0.6529                 2.4708                 1.1695
 AlphaG Fr= 1--      0.0082                 0.1227                -0.0171
 Gamma2 Fr= 1--     -1.3310                 1.2053                 1.6562
 Delta2 Fr= 1--     -0.5792                 1.1001                 0.4785
 Raman1 Fr= 1--      22.243                 85.922                 33.095
 ROA1   Fr= 1--    -146.305                150.911                174.305
 CID1   Fr= 1--      -6.578                  1.756                  5.267
 Raman2 Fr= 1--       7.835                 29.650                 14.034
 ROA2   Fr= 1--     -27.309                 20.127                 35.921
 CID2   Fr= 1--      -3.485                  0.679                  2.560
 Raman3 Fr= 1--      15.671                 59.300                 28.067
 ROA3   Fr= 1--    -146.305                150.911                174.305
 CID3   Fr= 1--      -9.336                  2.545                  6.210
 RC180  Fr= 1--       0.409                  0.380                  0.696
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.01    -0.03  -0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00   0.00   0.00    -0.03  -0.01   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.03    -0.01  -0.01   0.01    -0.00   0.00   0.00
     4   6    -0.02  -0.05   0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   6    -0.00  -0.01  -0.01    -0.02  -0.01  -0.01     0.00  -0.00  -0.00
     6   6     0.00  -0.00  -0.00     0.77   0.26  -0.01     0.00  -0.00   0.00
     7   6     0.01  -0.00  -0.01    -0.04  -0.01   0.00    -0.00   0.00   0.00
     8   6    -0.00  -0.00   0.00     0.01   0.01   0.00    -0.00   0.00   0.00
     9   8     0.00   0.00   0.00    -0.50  -0.17   0.01     0.00  -0.00   0.00
    10   6    -0.00   0.01   0.03     0.00  -0.00   0.00     0.04  -0.01   0.00
    11   6     0.01   0.01  -0.00     0.00  -0.00  -0.00    -0.01   0.02  -0.03
    12   1    -0.16   0.03  -0.15    -0.03   0.06  -0.04     0.01  -0.01  -0.01
    13   1     0.09  -0.07  -0.20     0.04   0.02  -0.04    -0.01   0.00  -0.01
    14   1     0.41   0.21  -0.20     0.01   0.01   0.01    -0.01   0.01  -0.00
    15   1    -0.15   0.48  -0.08    -0.01   0.01  -0.01     0.02   0.00  -0.01
    16   1    -0.07   0.09   0.00     0.05   0.07   0.02     0.00   0.01  -0.04
    17   1    -0.04  -0.00   0.11     0.08   0.06   0.04     0.01  -0.01   0.00
    18   1    -0.01  -0.02   0.01    -0.04  -0.02  -0.01     0.00   0.00   0.00
    19   1     0.01   0.01  -0.02     0.05  -0.01  -0.03    -0.01  -0.00  -0.01
    20   1     0.01   0.01   0.01     0.04  -0.01  -0.03     0.00   0.00  -0.00
    21   1    -0.01  -0.00  -0.01    -0.06  -0.10  -0.03     0.02  -0.01  -0.02
    22   1     0.08  -0.28  -0.12    -0.00   0.00   0.00    -0.02  -0.11   0.21
    23   1     0.00   0.06  -0.33     0.00   0.00   0.00    -0.04   0.41   0.06
    24   1    -0.08   0.10   0.06     0.01  -0.00  -0.01    -0.36  -0.16  -0.33
    25   1    -0.01  -0.22  -0.02     0.01   0.03   0.00    -0.27   0.02   0.12
    26   1     0.02   0.09  -0.06    -0.02  -0.02   0.02     0.34   0.17   0.33
    27   1    -0.22  -0.05   0.06     0.02   0.00   0.00     0.08  -0.39  -0.08
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3037.2951              3040.4579              3056.8487
 Red. masses --      1.0368                 1.0381                 1.0593
 Frc consts  --      5.6353                 5.6540                 5.8321
 IR Inten    --     20.1726                40.3743                25.9292
 RamAct Fr= 1--     11.8769               381.5715                71.6669
  Dep-P Fr= 1--      0.6218                 0.0138                 0.3326
  Dep-U Fr= 1--      0.7668                 0.0272                 0.4992
 Alpha2 Fr= 1--      0.0278                 8.2102                 0.6651
 Beta2  Fr= 1--      1.5179                 1.7305                 5.9623
 AlphaG Fr= 1--      0.0378                 0.4621                -0.5933
 Gamma2 Fr= 1--      2.1727                 0.3543                 4.3540
 Delta2 Fr= 1--      1.2564                -1.3738                -4.3025
 Raman1 Fr= 1--      47.507               1526.286                286.668
 ROA1   Fr= 1--     248.783                 -9.952                280.301
 CID1   Fr= 1--       5.237                 -0.007                  0.978
 Raman2 Fr= 1--      18.215                 20.766                 71.547
 ROA2   Fr= 1--      42.094                 19.492                138.915
 CID2   Fr= 1--       2.311                  0.939                  1.942
 Raman3 Fr= 1--      36.429                 41.532                143.095
 ROA3   Fr= 1--     248.783                 -9.952                280.301
 CID3   Fr= 1--       6.829                 -0.240                  1.959
 RC180  Fr= 1--       0.534                 -0.946                 -0.002
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.01  -0.01  -0.06
     4   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.01  -0.03   0.01
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.04   0.02     0.00   0.03   0.01    -0.00  -0.00  -0.00
     9   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   6     0.02  -0.01   0.00    -0.03   0.01  -0.00     0.00  -0.00   0.00
    11   6     0.01  -0.01   0.02    -0.01   0.01  -0.02    -0.00   0.00   0.00
    12   1    -0.02   0.01   0.02    -0.05   0.03   0.05    -0.39   0.22   0.42
    13   1     0.02  -0.01   0.01     0.05  -0.01   0.02     0.51  -0.16   0.25
    14   1    -0.01   0.01  -0.00     0.01  -0.01   0.00    -0.22   0.33  -0.03
    15   1     0.02   0.00  -0.01    -0.02  -0.00   0.01     0.29   0.05  -0.10
    16   1    -0.00  -0.00   0.03     0.00   0.01  -0.04    -0.00  -0.00   0.01
    17   1    -0.01   0.01  -0.00     0.01  -0.02   0.01     0.01  -0.03   0.01
    18   1     0.01   0.01   0.01    -0.02  -0.01  -0.02    -0.03  -0.03  -0.03
    19   1    -0.33   0.00  -0.22    -0.28   0.00  -0.18     0.03   0.00   0.02
    20   1    -0.06  -0.27   0.32    -0.04  -0.22   0.26     0.01   0.03  -0.04
    21   1     0.39  -0.14  -0.28     0.32  -0.12  -0.23    -0.03   0.01   0.02
    22   1    -0.02  -0.07   0.13     0.02   0.09  -0.17    -0.00  -0.00   0.00
    23   1    -0.03   0.26   0.04     0.03  -0.30  -0.05    -0.00   0.02   0.00
    24   1    -0.22  -0.10  -0.20     0.30   0.13   0.27    -0.02  -0.01  -0.01
    25   1     0.18  -0.01  -0.08    -0.22   0.02   0.10     0.01  -0.00  -0.00
    26   1    -0.21  -0.11  -0.21     0.26   0.13   0.25    -0.01  -0.00  -0.01
    27   1    -0.05   0.26   0.05     0.05  -0.27  -0.06    -0.00   0.00   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3063.1629              3065.3348              3084.3553
 Red. masses --      1.0612                 1.0625                 1.1007
 Frc consts  --      5.8665                 5.8822                 6.1693
 IR Inten    --     14.2941                29.8651                 9.9683
 RamAct Fr= 1--     61.1650               248.2714                90.8304
  Dep-P Fr= 1--      0.2080                 0.0550                 0.1890
  Dep-U Fr= 1--      0.3443                 0.1042                 0.3179
 Alpha2 Fr= 1--      0.8132                 4.8465                 1.2699
 Beta2  Fr= 1--      3.5100                 4.3113                 4.8120
 AlphaG Fr= 1--      0.1244                -0.9638                -0.8267
 Gamma2 Fr= 1--     -3.4711                -6.2717               -16.0301
 Delta2 Fr= 1--     -3.8989                -0.7234               -11.7309
 Raman1 Fr= 1--     244.660                993.086                363.322
 ROA1   Fr= 1--    -457.989               -625.227              -1914.282
 CID1   Fr= 1--      -1.872                 -0.630                 -5.269
 Raman2 Fr= 1--      42.119                 51.736                 57.744
 ROA2   Fr= 1--     -52.115               -144.733               -290.876
 CID2   Fr= 1--      -1.237                 -2.798                 -5.037
 Raman3 Fr= 1--      84.239                103.472                115.489
 ROA3   Fr= 1--    -457.989               -625.227              -1914.282
 CID3   Fr= 1--      -5.437                 -6.042                -16.575
 RC180  Fr= 1--      -0.311                 -0.792                 -0.364
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   6     0.00  -0.00  -0.01     0.00   0.01   0.03    -0.05   0.02   0.01
     4   6    -0.00   0.02  -0.00    -0.01  -0.05   0.02     0.05  -0.02  -0.01
     5   6     0.01   0.01   0.01     0.02   0.01   0.01    -0.03  -0.02  -0.03
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.03  -0.04  -0.04     0.01  -0.01  -0.01     0.01  -0.01  -0.00
     8   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
     9   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   6     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.00  -0.00  -0.00
    11   6    -0.01   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.01   0.00
    12   1    -0.08   0.04   0.08     0.24  -0.14  -0.26     0.27  -0.16  -0.32
    13   1     0.07  -0.02   0.03    -0.26   0.08  -0.12     0.37  -0.11   0.20
    14   1     0.11  -0.18   0.01    -0.34   0.51  -0.04    -0.21   0.34  -0.04
    15   1    -0.09  -0.01   0.03     0.46   0.08  -0.16    -0.34  -0.07   0.12
    16   1    -0.05  -0.12   0.60    -0.02  -0.03   0.17    -0.01  -0.02   0.08
    17   1    -0.35   0.60  -0.17    -0.06   0.11  -0.03    -0.07   0.12  -0.03
    18   1    -0.09  -0.07  -0.09    -0.18  -0.14  -0.17     0.32   0.25   0.31
    19   1     0.00   0.00   0.00    -0.01  -0.00  -0.01    -0.03   0.00  -0.02
    20   1     0.00   0.00  -0.00    -0.00  -0.02   0.02    -0.00  -0.01   0.01
    21   1     0.00  -0.00  -0.00     0.02  -0.01  -0.01    -0.02   0.00   0.01
    22   1     0.00   0.00  -0.01    -0.01  -0.02   0.03     0.00   0.01  -0.01
    23   1    -0.00   0.01   0.00     0.00  -0.02  -0.01    -0.00   0.02   0.00
    24   1    -0.00  -0.00  -0.00     0.05   0.02   0.04     0.03   0.01   0.02
    25   1     0.04  -0.00  -0.02     0.01  -0.00  -0.01    -0.01   0.00   0.01
    26   1     0.05   0.03   0.05     0.02   0.01   0.02    -0.03  -0.01  -0.03
    27   1     0.01  -0.04  -0.01    -0.00  -0.01  -0.00     0.02  -0.08  -0.02
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3084.5337              3087.8871              3091.7323
 Red. masses --      1.1005                 1.0917                 1.0996
 Frc consts  --      6.1693                 6.1329                 6.1926
 IR Inten    --      2.0292                24.8164                53.5781
 RamAct Fr= 1--     17.3874               203.6999               111.1176
  Dep-P Fr= 1--      0.5738                 0.1085                 0.7472
  Dep-U Fr= 1--      0.7292                 0.1958                 0.8553
 Alpha2 Fr= 1--      0.0577                 3.4925                 0.0054
 Beta2  Fr= 1--      2.1131                 6.6480                15.8395
 AlphaG Fr= 1--     -0.0336                 1.7678                -0.0438
 Gamma2 Fr= 1--     -1.3683                32.6156                -2.1371
 Delta2 Fr= 1--     -3.3556                14.3010                 0.3789
 Raman1 Fr= 1--      69.549                814.800                444.470
 ROA1   Fr= 1--    -238.741               3588.728               -193.040
 CID1   Fr= 1--      -3.433                  4.404                 -0.434
 Raman2 Fr= 1--      25.357                 79.776                190.074
 ROA2   Fr= 1--      -5.995                668.366                -54.323
 CID2   Fr= 1--      -0.236                  8.378                 -0.286
 Raman3 Fr= 1--      50.714                159.551                380.148
 ROA3   Fr= 1--    -238.741               3588.728               -193.040
 CID3   Fr= 1--      -4.708                 22.493                 -0.508
 RC180  Fr= 1--       0.458                 -0.608                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   6     0.00  -0.00  -0.00     0.04  -0.02  -0.00    -0.00  -0.00  -0.00
     4   6    -0.00   0.00  -0.00    -0.03  -0.01   0.01     0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.04  -0.03  -0.04    -0.01  -0.00  -0.01
     6   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     7   6    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
     8   6    -0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.01
     9   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   6    -0.02  -0.06  -0.04    -0.00   0.00  -0.00    -0.01  -0.04  -0.02
    11   6     0.01   0.04   0.02     0.00   0.01   0.00    -0.03  -0.06  -0.04
    12   1    -0.02   0.01   0.02    -0.16   0.09   0.19    -0.00   0.00   0.00
    13   1    -0.02   0.01  -0.01    -0.33   0.10  -0.17     0.01  -0.00   0.00
    14   1     0.02  -0.03   0.00    -0.01   0.00   0.00    -0.01   0.01  -0.00
    15   1     0.00   0.00  -0.00     0.34   0.06  -0.12     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    17   1     0.01  -0.02   0.00    -0.10   0.17  -0.04     0.01  -0.01   0.00
    18   1    -0.04  -0.03  -0.04     0.48   0.37   0.47     0.07   0.06   0.07
    19   1     0.03  -0.00   0.02    -0.01  -0.00  -0.00     0.08   0.00   0.05
    20   1     0.01   0.07  -0.08     0.00   0.02  -0.02    -0.01  -0.05   0.05
    21   1     0.07  -0.03  -0.05     0.03  -0.01  -0.02    -0.02   0.01   0.01
    22   1    -0.01  -0.05   0.05    -0.00   0.00  -0.00    -0.01  -0.03   0.04
    23   1    -0.08   0.64   0.09     0.01  -0.04  -0.01    -0.05   0.38   0.05
    24   1     0.39   0.15   0.34     0.01   0.00   0.01     0.23   0.09   0.20
    25   1    -0.02   0.01   0.02    -0.03   0.00   0.02     0.07  -0.02  -0.04
    26   1    -0.22  -0.10  -0.21    -0.03  -0.01  -0.03     0.37   0.17   0.36
    27   1     0.08  -0.36  -0.07     0.02  -0.07  -0.01    -0.13   0.61   0.12
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3098.4690              3100.5104              3103.7955
 Red. masses --      1.1038                 1.1016                 1.1014
 Frc consts  --      6.2437                 6.2392                 6.2514
 IR Inten    --      2.0379                14.7789                 9.8439
 RamAct Fr= 1--     41.1455                72.1300                81.7822
  Dep-P Fr= 1--      0.7369                 0.6869                 0.7400
  Dep-U Fr= 1--      0.8485                 0.8144                 0.8506
 Alpha2 Fr= 1--      0.0092                 0.0800                 0.0139
 Beta2  Fr= 1--      5.8187                 9.7903                11.5937
 AlphaG Fr= 1--     -0.0655                -0.1088                -0.0989
 Gamma2 Fr= 1--    -17.6168               -18.9537                18.3434
 Delta2 Fr= 1--      2.1762                -5.3737                 9.7263
 Raman1 Fr= 1--     164.582                288.520                327.129
 ROA1   Fr= 1--   -1621.578              -1991.517               2072.213
 CID1   Fr= 1--      -9.853                 -6.903                  6.335
 Raman2 Fr= 1--      69.824                117.483                139.124
 ROA2   Fr= 1--    -440.214               -411.899                362.432
 CID2   Fr= 1--      -6.305                 -3.506                  2.605
 Raman3 Fr= 1--     139.648                234.966                278.249
 ROA3   Fr= 1--   -1621.578              -1991.517               2072.213
 CID3   Fr= 1--     -11.612                 -8.476                  7.447
 RC180  Fr= 1--       0.697                  0.629                  0.701
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     2   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.02  -0.01  -0.00    -0.00   0.00   0.00     0.02  -0.01  -0.00
     4   6     0.03  -0.01  -0.01     0.01  -0.00  -0.00     0.02  -0.01  -0.00
     5   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.02   0.05  -0.06     0.00  -0.01   0.02     0.00  -0.00   0.00
     8   6    -0.01  -0.00   0.02    -0.08  -0.01   0.04    -0.04   0.03  -0.07
     9   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6     0.00  -0.00   0.01     0.00   0.01   0.01     0.00  -0.00   0.01
    11   6    -0.03   0.01   0.01     0.01  -0.01  -0.01     0.01   0.01   0.00
    12   1    -0.10   0.06   0.12     0.01  -0.00  -0.01    -0.08   0.05   0.10
    13   1    -0.18   0.05  -0.09     0.01  -0.00   0.01    -0.11   0.03  -0.06
    14   1    -0.09   0.15  -0.01    -0.03   0.05  -0.01    -0.08   0.13  -0.01
    15   1    -0.22  -0.05   0.08    -0.07  -0.01   0.02    -0.16  -0.03   0.06
    16   1    -0.06  -0.10   0.59     0.02   0.03  -0.18     0.00   0.00  -0.01
    17   1     0.26  -0.45   0.10    -0.08   0.14  -0.03    -0.01   0.02  -0.01
    18   1     0.05   0.04   0.05    -0.03  -0.02  -0.03    -0.02  -0.01  -0.01
    19   1     0.02  -0.00   0.02     0.32   0.00   0.24     0.58   0.01   0.38
    20   1     0.02   0.11  -0.12     0.05   0.32  -0.36    -0.09  -0.41   0.47
    21   1     0.13  -0.05  -0.09     0.55  -0.22  -0.40    -0.00   0.00  -0.02
    22   1     0.01   0.04  -0.08     0.00   0.01  -0.02     0.01   0.03  -0.06
    23   1     0.00  -0.02  -0.00     0.01  -0.08  -0.01    -0.00   0.01   0.00
    24   1    -0.03  -0.01  -0.03    -0.04  -0.02  -0.04    -0.02  -0.01  -0.02
    25   1     0.28  -0.02  -0.13    -0.08   0.00   0.03    -0.06   0.01   0.03
    26   1     0.07   0.04   0.08     0.01   0.00   0.01    -0.06  -0.03  -0.06
    27   1     0.01  -0.11  -0.02    -0.02   0.11   0.02     0.02  -0.07  -0.01
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3105.3045              3113.1033              3127.4724
 Red. masses --      1.1041                 1.0986                 1.0960
 Frc consts  --      6.2730                 6.2728                 6.3158
 IR Inten    --     70.7487                20.2371                26.3282
 RamAct Fr= 1--     81.6426                54.1239                57.4350
  Dep-P Fr= 1--      0.7383                 0.6609                 0.5618
  Dep-U Fr= 1--      0.8495                 0.7958                 0.7195
 Alpha2 Fr= 1--      0.0162                 0.0860                 0.2050
 Beta2  Fr= 1--     11.5589                 7.1791                 6.8870
 AlphaG Fr= 1--     -0.0507                -0.1760                -0.1688
 Gamma2 Fr= 1--    -14.9508                25.2700                -2.9229
 Delta2 Fr= 1--     -7.9582                 7.4601                 0.5172
 Raman1 Fr= 1--     326.570                216.496                229.740
 ROA1   Fr= 1--   -1689.943               2664.642               -264.046
 CID1   Fr= 1--      -5.175                 12.308                 -1.149
 Raman2 Fr= 1--     138.707                 86.149                 82.644
 ROA2   Fr= 1--    -295.154                546.798                -74.286
 CID2   Fr= 1--      -2.128                  6.347                 -0.899
 Raman3 Fr= 1--     277.414                172.297                165.288
 ROA3   Fr= 1--   -1689.943               2664.642               -264.046
 CID3   Fr= 1--      -6.092                 15.465                 -1.597
 RC180  Fr= 1--       0.699                  0.592                  0.439
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.04   0.02   0.01    -0.00   0.00   0.00     0.01  -0.00  -0.00
     4   6    -0.06   0.02   0.01    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
     5   6    -0.01  -0.00  -0.01     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     7   6    -0.01   0.02  -0.02     0.00  -0.02   0.03    -0.00   0.00  -0.00
     8   6    -0.03   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.01  -0.01     0.00  -0.00   0.00    -0.00   0.05  -0.07
    11   6    -0.01   0.01   0.00    -0.08   0.02   0.02    -0.00   0.00   0.00
    12   1     0.21  -0.12  -0.24     0.00  -0.00  -0.01    -0.06   0.04   0.07
    13   1     0.32  -0.10   0.17     0.01  -0.00   0.00    -0.05   0.01  -0.02
    14   1     0.22  -0.36   0.04    -0.00   0.00  -0.00    -0.03   0.05  -0.01
    15   1     0.47   0.10  -0.17     0.00   0.00  -0.00    -0.14  -0.03   0.05
    16   1    -0.03  -0.04   0.24     0.03   0.06  -0.34    -0.00  -0.00   0.00
    17   1     0.12  -0.20   0.05    -0.09   0.16  -0.04     0.00  -0.00   0.00
    18   1     0.08   0.06   0.08    -0.02  -0.01  -0.01    -0.01  -0.00  -0.01
    19   1     0.24   0.01   0.16     0.02   0.00   0.02     0.01   0.00   0.01
    20   1    -0.02  -0.08   0.09    -0.00  -0.02   0.02    -0.00  -0.01   0.01
    21   1     0.11  -0.04  -0.09     0.01  -0.00  -0.01     0.00  -0.00  -0.00
    22   1    -0.02  -0.06   0.12     0.00   0.01  -0.02    -0.12  -0.43   0.80
    23   1     0.01  -0.08  -0.02     0.00  -0.01  -0.00     0.03  -0.25  -0.06
    24   1     0.02   0.01   0.01    -0.00  -0.00  -0.00     0.14   0.07   0.11
    25   1     0.10  -0.01  -0.05     0.75  -0.05  -0.35     0.01  -0.00  -0.01
    26   1     0.01   0.01   0.01     0.15   0.09   0.17    -0.00   0.00   0.00
    27   1     0.01  -0.08  -0.01     0.04  -0.28  -0.05     0.00  -0.02  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  8 and mass  15.99491
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  1242.481721522.918951641.96827
           X            0.99901  -0.04146   0.01640
           Y            0.04144   0.99914   0.00175
           Z           -0.01646  -0.00107   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.06971     0.05687     0.05275
 Rotational constants (GHZ):           1.45253     1.18505     1.09913
 Zero-point vibrational energy     632116.4 (Joules/Mol)
                                  151.07944 (Kcal/Mol)
 Warning -- explicit consideration of  17 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    155.18   242.92   263.98   312.66   323.48
          (Kelvin)            347.99   377.51   417.28   432.82   553.53
                              568.47   598.46   685.53   755.38   806.66
                              829.03   891.38   938.85  1027.76  1087.79
                             1203.12  1241.97  1256.91  1333.29  1358.61
                             1363.64  1381.63  1390.23  1443.05  1485.56
                             1495.93  1521.38  1585.82  1612.14  1655.56
                             1688.21  1715.00  1753.43  1767.28  1796.29
                             1824.67  1835.19  1874.14  1911.03  1921.81
                             1942.56  2028.05  2038.17  2058.89  2103.97
                             2137.32  2143.10  2149.13  2156.68  2164.20
                             2177.81  2185.00  2197.61  2614.30  4364.73
                             4369.99  4374.54  4398.12  4407.21  4410.33
                             4437.70  4437.96  4442.78  4448.31  4458.01
                             4460.94  4465.67  4467.84  4479.06  4499.74
 
 Zero-point correction=                           0.240760 (Hartree/Particle)
 Thermal correction to Energy=                    0.251431
 Thermal correction to Enthalpy=                  0.252375
 Thermal correction to Gibbs Free Energy=         0.206095
 Sum of electronic and zero-point Energies=           -465.910956
 Sum of electronic and thermal Energies=              -465.900285
 Sum of electronic and thermal Enthalpies=            -465.899341
 Sum of electronic and thermal Free Energies=         -465.945621
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  157.775             43.574             97.405
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             29.520
 Vibrational            155.998             37.612             26.916
 Vibration     1          0.606              1.943              3.307
 Vibration     2          0.625              1.881              2.448
 Vibration     3          0.631              1.862              2.293
 Vibration     4          0.646              1.815              1.981
 Vibration     5          0.649              1.803              1.920
 Vibration     6          0.658              1.776              1.789
 Vibration     7          0.670              1.742              1.646
 Vibration     8          0.686              1.692              1.474
 Vibration     9          0.693              1.672              1.412
 Vibration    10          0.754              1.503              1.021
 Vibration    11          0.762              1.481              0.981
 Vibration    12          0.779              1.436              0.906
 Vibration    13          0.833              1.302              0.720
 Vibration    14          0.880              1.195              0.598
 Vibration    15          0.916              1.116              0.523
 Vibration    16          0.933              1.083              0.492
 Vibration    17          0.980              0.991              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.159586D-94        -94.797004       -218.278169
 Total V=0       0.881043D+16         15.944997         36.714712
 Vib (Bot)       0.342966-108       -108.464749       -249.749315
 Vib (Bot)    1  0.189984D+01          0.278717          0.641769
 Vib (Bot)    2  0.119403D+01          0.077016          0.177336
 Vib (Bot)    3  0.109338D+01          0.038772          0.089276
 Vib (Bot)    4  0.911256D+00         -0.040360         -0.092932
 Vib (Bot)    5  0.877989D+00         -0.056511         -0.130121
 Vib (Bot)    6  0.810022D+00         -0.091503         -0.210693
 Vib (Bot)    7  0.739388D+00         -0.131128         -0.301933
 Vib (Bot)    8  0.659368D+00         -0.180872         -0.416473
 Vib (Bot)    9  0.631893D+00         -0.199357         -0.459036
 Vib (Bot)   10  0.468405D+00         -0.329379         -0.758423
 Vib (Bot)   11  0.452715D+00         -0.344175         -0.792492
 Vib (Bot)   12  0.423442D+00         -0.373207         -0.859340
 Vib (Bot)   13  0.352075D+00         -0.453365         -1.043912
 Vib (Bot)   14  0.306028D+00         -0.514239         -1.184079
 Vib (Bot)   15  0.277035D+00         -0.557466         -1.283612
 Vib (Bot)   16  0.265463D+00         -0.575996         -1.326279
 Vib (Bot)   17  0.236160D+00         -0.626794         -1.443248
 Vib (V=0)       0.189344D+03          2.277252          5.243566
 Vib (V=0)    1  0.246453D+01          0.391734          0.902002
 Vib (V=0)    2  0.179449D+01          0.253942          0.584722
 Vib (V=0)    3  0.170228D+01          0.231032          0.531971
 Vib (V=0)    4  0.153942D+01          0.187356          0.431404
 Vib (V=0)    5  0.151038D+01          0.179086          0.412360
 Vib (V=0)    6  0.145191D+01          0.161940          0.372881
 Vib (V=0)    7  0.139258D+01          0.143819          0.331156
 Vib (V=0)    8  0.132751D+01          0.123037          0.283302
 Vib (V=0)    9  0.130578D+01          0.115871          0.266804
 Vib (V=0)   10  0.118513D+01          0.073766          0.169852
 Vib (V=0)   11  0.117450D+01          0.069853          0.160843
 Vib (V=0)   12  0.115521D+01          0.062662          0.144284
 Vib (V=0)   13  0.111152D+01          0.045917          0.105728
 Vib (V=0)   14  0.108622D+01          0.035918          0.082703
 Vib (V=0)   15  0.107162D+01          0.030040          0.069171
 Vib (V=0)   16  0.106610D+01          0.027798          0.064008
 Vib (V=0)   17  0.105297D+01          0.022414          0.051611
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.630974D+06          5.800011         13.355020
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000053041   -0.000024740    0.000009116
      2        6           0.000038176    0.000017183   -0.000001880
      3        6          -0.000044485   -0.000008475    0.000029904
      4        6           0.000003597   -0.000017072   -0.000001263
      5        6           0.000019569   -0.000009345   -0.000013874
      6        6          -0.000009171   -0.000018880    0.000019534
      7        6          -0.000024798    0.000021183    0.000020197
      8        6          -0.000007845    0.000002301   -0.000004714
      9        8           0.000001964   -0.000000422    0.000001435
     10        6           0.000036290    0.000028404   -0.000012594
     11        6           0.000009774   -0.000012449   -0.000010072
     12        1          -0.000017893    0.000010456   -0.000002245
     13        1          -0.000000444    0.000000879    0.000001683
     14        1          -0.000002233   -0.000003836    0.000009747
     15        1           0.000015139   -0.000008782   -0.000005708
     16        1           0.000004858    0.000007463   -0.000007006
     17        1          -0.000000158    0.000002355   -0.000001628
     18        1           0.000002348    0.000003374    0.000001667
     19        1           0.000001018    0.000000757   -0.000001537
     20        1           0.000002679   -0.000002031    0.000006031
     21        1           0.000003668   -0.000001781    0.000002187
     22        1          -0.000003981    0.000030162   -0.000010172
     23        1           0.000012706   -0.000007611   -0.000008590
     24        1          -0.000006746    0.000000813    0.000002245
     25        1           0.000018156   -0.000015419   -0.000011765
     26        1           0.000000227    0.000001199   -0.000004221
     27        1           0.000000626    0.000004314   -0.000006479
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000053041 RMS     0.000014691
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.119983D+03  0.970600D+00 -0.339226D+00
      2   0.970600D+00  0.115067D+03  0.144844D+01
      3  -0.339226D+00  0.144844D+01  0.111361D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.670961D-02 -0.445686D+01  0.197015D+01
      2   0.207454D+01 -0.435638D+01  0.204495D+02
      3   0.507005D+01 -0.167581D+02  0.503419D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.242739D+02 -0.135783D+02  0.113578D+02
      2  -0.160515D+02  0.668640D+01 -0.875505D+01
      3  -0.822241D+01  0.689192D+01 -0.260272D+01
      4  -0.172161D+02  0.321651D+02 -0.173404D+02
      5   0.868982D+01 -0.174370D+02  0.423608D+02
      6  -0.106877D+02 -0.140351D+02 -0.435147D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.187875D+01  0.154475D+01  0.571575D+01  0.980230D+00  0.255916D+01
      2   0.154475D+01  0.295916D+01  0.342065D+00  0.255916D+01 -0.603389D+01
      3   0.571575D+01  0.342065D+00  0.302637D+01  0.259018D-01 -0.155739D+01
                 6             7             8             9            10 
      1   0.259018D-01  0.697631D+01  0.605781D+00  0.210965D+01 -0.461108D+01
      2  -0.155739D+01  0.605781D+00 -0.153517D+01  0.408283D+01 -0.209935D+01
      3   0.310734D+01  0.210965D+01  0.408283D+01 -0.980855D+00 -0.438045D+01
                11            12            13            14            15 
      1  -0.209935D+01 -0.438045D+01 -0.263674D+01  0.745606D+00  0.209129D+01
      2   0.883667D+00  0.214839D+01  0.745606D+00  0.631295D+00  0.295979D+01
      3   0.214839D+01 -0.699529D+00  0.209129D+01  0.295979D+01 -0.395422D+01
                16            17            18            19            20 
      1  -0.444358D+01  0.212168D+01 -0.211622D+01  0.230968D+01 -0.436449D+00
      2   0.212168D+01  0.221064D+01 -0.282084D+01 -0.436449D+00 -0.134807D+01
      3  -0.211622D+01 -0.282084D+01 -0.186427D+01  0.425267D+01 -0.268040D+01
                21            22            23            24            25 
      1   0.425267D+01  0.677792D+00 -0.228876D+00 -0.374204D+01  0.275870D+01
      2  -0.268040D+01 -0.228876D+00  0.548554D+00 -0.234414D+01 -0.236582D+01
      3  -0.696781D+00 -0.374204D+01 -0.234414D+01  0.242047D+01 -0.242614D+00
                26            27            28            29            30 
      1  -0.236582D+01 -0.242614D+00 -0.381333D+01 -0.243205D+01  0.238595D+01
      2  -0.323266D+01  0.154162D+01 -0.243205D+01  0.383850D+01  0.894968D+00
      3   0.154162D+01  0.252896D+01  0.238595D+01  0.894968D+00 -0.257475D+00
                31            32            33            34            35 
      1  -0.961518D+00  0.303673D+01  0.959931D+00  0.192955D+01  0.101371D+01
      2   0.303673D+01 -0.353196D+01  0.197276D+01  0.101371D+01  0.153710D+01
      3   0.959931D+00  0.197276D+01  0.180373D+01 -0.820377D-01  0.154843D+01
                36            37            38            39            40 
      1  -0.820377D-01  0.859941D+00 -0.122365D+01 -0.406689D+01  0.222448D+00
      2   0.154843D+01 -0.122365D+01 -0.318576D+01 -0.155644D+01 -0.436896D+01
      3  -0.266562D+01 -0.406689D+01 -0.155644D+01 -0.172364D+01 -0.176278D+01
                41            42            43            44            45 
      1  -0.436896D+01 -0.176278D+01 -0.327548D+01 -0.161580D+01 -0.182015D+01
      2   0.498211D+01 -0.153780D+01 -0.161580D+01 -0.140371D+00 -0.353764D+01
      3  -0.153780D+01 -0.256244D+01 -0.182015D+01 -0.353764D+01  0.189534D+01
                46            47            48            49            50 
      1   0.805196D+01  0.327130D+01  0.263092D+00  0.313521D+01 -0.110439D+01
      2   0.327130D+01 -0.363227D+01 -0.323868D+01 -0.110439D+01 -0.691526D+00
      3   0.263092D+00 -0.323868D+01 -0.205493D+01 -0.187617D+01 -0.923065D+00
                51            52            53            54            55 
      1  -0.187617D+01  0.359703D+00 -0.137570D+01  0.108876D+00 -0.136634D+01
      2  -0.923065D+00 -0.137570D+01 -0.512997D+00  0.479462D+00 -0.105857D+01
      3   0.227590D+00  0.108876D+00  0.479462D+00  0.189158D+01  0.131880D+01
                56            57            58            59            60 
      1  -0.105857D+01  0.131880D+01 -0.158539D+01  0.369431D+01  0.106822D+01
      2   0.475793D+01  0.141588D+01  0.369431D+01 -0.308167D+01  0.139462D+01
      3   0.141588D+01  0.144480D+01  0.106822D+01  0.139462D+01  0.197688D+01
                61            62            63            64            65 
      1   0.331269D+00 -0.475985D+00  0.111958D+01  0.163056D+01  0.213231D+01
      2  -0.475985D+00  0.178843D+01  0.675212D+00  0.213231D+01 -0.198508D+00
      3   0.111958D+01  0.675212D+00 -0.559564D+01  0.484029D+01 -0.122474D+01
                66            67            68            69            70 
      1   0.484029D+01  0.135217D+01 -0.775926D+00 -0.135042D+01  0.394797D+01
      2  -0.122474D+01 -0.775926D+00 -0.260501D+00 -0.298393D+01 -0.147104D+01
      3   0.100674D+01 -0.135042D+01 -0.298393D+01  0.244544D+01  0.901276D+00
                71            72            73            74            75 
      1  -0.147104D+01  0.901276D+00 -0.165052D+02 -0.312122D+01  0.113655D+01
      2  -0.304686D+01  0.313351D+01 -0.312122D+01 -0.100116D+01  0.105920D+01
      3   0.313351D+01  0.869777D+00  0.113655D+01  0.105920D+01 -0.917013D+00
                76            77            78            79            80 
      1  -0.352583D+01 -0.344385D+01  0.585468D+00  0.369293D+00  0.215500D+00
      2  -0.344385D+01 -0.202587D+01  0.658176D+00  0.215500D+00  0.132516D+00
      3   0.585468D+00  0.658176D+00 -0.338515D+00 -0.301742D+01 -0.868183D+00
                81            82            83            84            85 
      1  -0.301742D+01 -0.113140D+01 -0.178443D+01 -0.437912D+01 -0.234980D+01
      2  -0.868183D+00 -0.178443D+01 -0.141194D+01 -0.277649D+00 -0.232868D+01
      3  -0.579910D-01 -0.437912D+01 -0.277649D+00 -0.185094D+01 -0.413554D+00
                86            87            88            89            90 
      1  -0.232868D+01 -0.413554D+00 -0.535690D+01 -0.386923D+00 -0.240290D+01
      2   0.555495D+01  0.178319D+01 -0.386923D+00  0.169405D+01 -0.274139D+01
      3   0.178319D+01 -0.284910D+01 -0.240290D+01 -0.274139D+01  0.237046D+01
                91            92            93            94            95 
      1   0.184521D+01 -0.530327D+00 -0.492059D+01 -0.884125D+00 -0.183015D+01
      2  -0.530327D+00 -0.162262D+01 -0.601230D+00 -0.183015D+01  0.562249D+01
      3  -0.492059D+01 -0.601230D+00 -0.196137D+01 -0.895030D+00  0.114551D+01
                96            97            98            99           100 
      1  -0.895030D+00 -0.444338D+01 -0.842153D+00 -0.181634D+01  0.232315D+01
      2   0.114551D+01 -0.842153D+00  0.206138D+01 -0.285464D+01 -0.353281D+00
      3  -0.339069D+01 -0.181634D+01 -0.285464D+01 -0.399616D+00 -0.239121D+01
               101           102           103           104           105 
      1  -0.353281D+00 -0.239121D+01 -0.985370D+00  0.675750D+00  0.133005D+01
      2   0.113495D+01  0.672168D+00  0.675750D+00 -0.111594D+01 -0.990336D+00
      3   0.672168D+00  0.333883D+01  0.133005D+01 -0.990336D+00 -0.259719D+01
               106           107           108           109           110 
      1  -0.178456D+01  0.458483D+00  0.218518D+01 -0.447311D+01  0.103317D+01
      2   0.458483D+00 -0.793316D+00 -0.996066D+00  0.103317D+01 -0.134279D+01
      3   0.218518D+01 -0.996066D+00 -0.656205D+01 -0.352192D+01  0.132804D+01
               111           112           113           114           115 
      1  -0.352192D+01  0.815299D+00 -0.960314D+00  0.872208D+00 -0.198822D+01
      2   0.132804D+01 -0.960314D+00  0.987568D+00 -0.938071D+00  0.760196D+00
      3  -0.374424D+01  0.872208D+00 -0.938071D+00  0.824345D+00 -0.211240D+01
               116           117           118           119           120 
      1   0.760196D+00 -0.211240D+01 -0.992264D+00  0.206544D+01 -0.649518D+00
      2  -0.562917D+00  0.736651D+00  0.206544D+01 -0.386144D+01  0.744499D+00
      3   0.736651D+00 -0.389783D+01 -0.649518D+00  0.744499D+00 -0.849806D+00
               121           122           123           124           125 
      1   0.141740D+01 -0.190883D+01  0.250864D+00 -0.332992D+00  0.286527D-01
      2  -0.190883D+01  0.898234D+01 -0.178246D+01  0.286527D-01 -0.825263D+00
      3   0.250864D+00 -0.178246D+01  0.125048D+01 -0.415731D+00  0.109881D+01
               126           127           128           129           130 
      1  -0.415731D+00  0.655468D+01  0.280739D+01 -0.220491D+01  0.146277D+01
      2   0.109881D+01  0.280739D+01  0.244077D+01 -0.124360D+01  0.143959D+01
      3  -0.388628D+00 -0.220491D+01 -0.124360D+01  0.194898D+01 -0.693002D+00
               131           132           133           134           135 
      1   0.143959D+01 -0.693002D+00 -0.183505D+01 -0.897291D+00  0.155796D+01
      2   0.193984D+01 -0.868818D+00 -0.897291D+00 -0.102922D+01  0.731620D+00
      3  -0.868818D+00  0.379677D+00  0.155796D+01  0.731620D+00 -0.132055D+01
               136           137           138           139           140 
      1  -0.227888D+00  0.173598D+00  0.129231D+01 -0.311789D+00 -0.411925D+00
      2   0.173598D+00 -0.641175D+00 -0.411844D+00 -0.411925D+00  0.326354D+00
      3   0.129231D+01 -0.411844D+00 -0.136062D+01  0.159977D+00  0.845979D+00
               141           142           143           144           145 
      1   0.159977D+00  0.161738D+01 -0.199971D+00 -0.153018D+01 -0.281346D+01
      2   0.845979D+00 -0.199971D+00  0.138676D+01  0.107036D+01  0.275577D+01
      3  -0.917870D+00 -0.153018D+01  0.107036D+01  0.930071D+01  0.263372D+00
               146           147           148           149           150 
      1   0.275577D+01  0.263372D+00  0.280998D+01 -0.318053D+01 -0.503785D+00
      2  -0.367105D+01 -0.759542D+00 -0.318053D+01  0.745403D+01  0.511095D+00
      3  -0.759542D+00 -0.817741D+00 -0.503785D+00  0.511095D+00  0.973732D+00
               151           152           153           154           155 
      1  -0.792277D+00  0.590444D+00 -0.458178D+00  0.383431D+01  0.251395D+01
      2   0.590444D+00 -0.113660D+01  0.946328D+00  0.251395D+01  0.268606D+01
      3  -0.458178D+00  0.946328D+00  0.630965D+00  0.266138D+01  0.154264D+01
               156           157           158           159           160 
      1   0.266138D+01  0.148059D+01  0.224364D+01  0.965321D+00  0.243684D+01
      2   0.154264D+01  0.224364D+01  0.305533D+01  0.194118D+01  0.146094D+01
      3   0.237578D+01  0.965321D+00  0.194118D+01  0.186896D+01  0.232481D+01
               161           162           163           164           165 
      1   0.146094D+01  0.232481D+01 -0.496780D+01 -0.185799D+01 -0.337317D+01
      2   0.213452D+01  0.253188D+01 -0.185799D+01 -0.213163D+01 -0.126029D+01
      3   0.253188D+01  0.356285D+01 -0.337317D+01 -0.126029D+01 -0.314503D+01
               166           167           168           169           170 
      1  -0.516896D+00 -0.938359D+00 -0.167723D+00 -0.290482D+01 -0.806074D+00
      2  -0.938359D+00 -0.450221D+00 -0.421561D+00 -0.806074D+00 -0.890713D+00
      3  -0.167723D+00 -0.421561D+00 -0.344469D+00 -0.250098D+01 -0.157509D+01
               171           172           173           174           175 
      1  -0.250098D+01 -0.720442D+00 -0.117338D+01  0.291480D-01 -0.888755D+00
      2  -0.157509D+01 -0.117338D+01 -0.971153D+00  0.442276D+00 -0.851370D+00
      3  -0.344082D+01  0.291480D-01  0.442276D+00 -0.402395D+00  0.328601D+00
               176           177           178           179           180 
      1  -0.851370D+00  0.328601D+00  0.592747D+00  0.851775D+00 -0.321076D+00
      2  -0.562858D+01  0.209019D+01  0.851775D+00  0.422319D+01 -0.200835D+01
      3   0.209019D+01 -0.169733D+01 -0.321076D+00 -0.200835D+01  0.266887D+01
               181           182           183           184           185 
      1   0.297127D+01 -0.161414D+01 -0.216486D+01 -0.950301D+00  0.133471D+01
      2  -0.161414D+01  0.270322D+01  0.172227D+01  0.133471D+01 -0.196165D+01
      3  -0.216486D+01  0.172227D+01  0.237832D+01  0.851247D+00 -0.975935D+00
               186           187           188           189           190 
      1   0.851247D+00 -0.193924D+01  0.103854D+01  0.147409D+01  0.995919D+00
      2  -0.975935D+00  0.103854D+01 -0.164740D+01 -0.215650D+01  0.807021D+00
      3  -0.119796D+01  0.147409D+01 -0.215650D+01 -0.326357D+01 -0.977283D+00
               191           192           193           194           195 
      1   0.807021D+00 -0.977283D+00  0.163603D+01  0.430374D+00 -0.466014D+00
      2   0.278502D+00 -0.259810D+00  0.430374D+00  0.902764D+00 -0.137180D+01
      3  -0.259810D+00  0.126348D+01 -0.466014D+00 -0.137180D+01  0.184555D+01
               196           197           198           199           200 
      1  -0.206651D+01 -0.125409D+00  0.195895D+01  0.125844D+01 -0.123887D+01
      2  -0.125409D+00 -0.159293D+01  0.158497D+01 -0.123887D+01  0.114193D+01
      3   0.195895D+01  0.158497D+01 -0.499610D+01  0.292397D-01  0.245195D+00
               201           202           203           204           205 
      1   0.292397D-01 -0.286225D+01  0.289523D+01  0.580126D+00  0.843197D-01
      2   0.245195D+00  0.289523D+01 -0.735742D+01 -0.121263D+01  0.378597D+00
      3   0.338914D+00  0.580126D+00 -0.121263D+01 -0.104332D+01  0.754736D+00
               206           207           208           209           210 
      1   0.378597D+00  0.754736D+00  0.746782D+01  0.848671D+00  0.262597D+01
      2  -0.973627D+00 -0.845749D+00  0.848671D+00  0.967564D+00  0.239383D+00
      3  -0.845749D+00 -0.746638D+00  0.262597D+01  0.239383D+00  0.167762D+01
               211           212           213           214           215 
      1   0.245352D+01  0.146182D+01  0.707347D+00  0.519833D+01  0.340347D+00
      2   0.146182D+01  0.187981D+00  0.395342D+00  0.340347D+00  0.700978D+00
      3   0.707347D+00  0.395342D+00  0.893337D+00  0.258105D+01  0.601834D+00
               216           217           218           219           220 
      1   0.258105D+01 -0.449330D+01  0.163160D-01  0.223396D+01  0.182184D+00
      2   0.601834D+00  0.163160D-01 -0.126837D+01  0.946219D+00 -0.677620D+00
      3   0.215367D+01  0.223396D+01  0.946219D+00 -0.287700D+01  0.359483D+00
               221           222           223           224           225 
      1  -0.677620D+00  0.359483D+00  0.190471D+01  0.341431D+00 -0.156156D+01
      2  -0.526924D+00  0.312342D+00  0.341431D+00  0.329928D+00 -0.164887D+00
      3   0.312342D+00  0.262291D+00 -0.156156D+01 -0.164887D+00  0.277306D+01
               226           227           228           229           230 
      1   0.352038D+01  0.150735D+00  0.339676D+01  0.116076D+01  0.839090D+00
      2   0.150735D+00  0.107228D+01 -0.407100D-01  0.839090D+00  0.930840D-01
      3   0.339676D+01 -0.407100D-01  0.404537D+01  0.100026D+01  0.678121D+00
               231           232           233           234           235 
      1   0.100026D+01  0.256491D+01  0.119301D+00  0.306328D+01  0.613549D+00
      2   0.678121D+00  0.119301D+00  0.546708D+00  0.346427D+00 -0.119672D+01
      3   0.208768D+01  0.306328D+01  0.346427D+00  0.576822D+01  0.584667D+00
               236           237           238           239           240 
      1  -0.119672D+01  0.584667D+00 -0.132761D+01  0.165378D+01 -0.265776D+00
      2   0.142341D+01 -0.188267D+00  0.165378D+01 -0.860255D+01  0.121967D+01
      3  -0.188267D+00  0.513307D+00 -0.265776D+00  0.121967D+01 -0.147441D+01
               241           242           243 
      1   0.909586D-01  0.236790D+00  0.258345D+00
      2   0.236790D+00 -0.826151D+00 -0.540625D+00
      3   0.258345D+00 -0.540625D+00 -0.234269D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.151847D+01  0.118344D+01  0.185746D+01  0.248394D+01 -0.627354D+01
      2   0.977167D+01 -0.249387D+00  0.397366D+01  0.186071D+01 -0.448716D+01
      3   0.104773D+01 -0.718001D+01 -0.216853D+01  0.802390D+00  0.765782D+01
                 6             7             8             9            10 
      1  -0.371033D+01  0.452368D+01  0.402127D+01  0.181080D+01 -0.437762D+01
      2   0.295770D+01 -0.330586D+01  0.336387D+01 -0.279581D+01 -0.236069D+01
      3   0.285631D+01 -0.253592D+01  0.307004D+01 -0.361715D+01 -0.218876D+01
                11            12            13            14            15 
      1  -0.252040D+01  0.828311D+00  0.132754D+01  0.453314D+01 -0.119020D+02
      2  -0.343482D+01  0.158280D+01 -0.373296D+01 -0.289272D+00  0.163748D+01
      3  -0.300061D+01  0.423947D+01  0.751351D+01  0.275681D+00  0.123291D+01
                16            17            18            19            20 
      1  -0.589261D+01  0.172925D-02 -0.201209D+01  0.463956D+01  0.436913D+01
      2  -0.650302D+01  0.405772D+01 -0.568713D+01  0.503699D+01 -0.125412D+01
      3   0.385389D+01  0.273189D+01 -0.491645D-02 -0.509406D+00 -0.447089D+01
                21            22            23            24            25 
      1   0.438365D+01 -0.829403D+00  0.194980D+01  0.583712D+01  0.487923D+01
      2   0.115993D+02 -0.622273D+00 -0.768763D+00 -0.816157D+01  0.387386D+01
      3   0.402228D+00  0.491552D+00 -0.226667D+00 -0.155122D+01  0.902542D+00
                26            27            28            29            30 
      1   0.104699D+02 -0.115794D+01 -0.536591D+01 -0.670173D+01 -0.117895D+01
      2  -0.788933D+01  0.766270D+00 -0.209770D+01 -0.196377D+01  0.517152D+01
      3  -0.195608D+01  0.476238D+00 -0.880558D+01 -0.128666D+02  0.614168D+01
                31            32            33            34            35 
      1  -0.604254D+01 -0.244277D+01 -0.110568D+02 -0.322851D+00 -0.532104D+01
      2  -0.497698D+00  0.502625D+01  0.319326D+01  0.507696D+00  0.232180D+01
      3  -0.358363D+01  0.123812D+02  0.527997D+00  0.544228D+01  0.171661D+01
                36            37            38            39            40 
      1   0.660932D+01  0.398495D+01  0.780700D+00  0.537686D+00  0.308828D+00
      2  -0.436214D+01 -0.577083D+01 -0.100073D+01  0.449338D+01 -0.126856D+01
      3  -0.167372D+01  0.522581D+01 -0.276454D+01 -0.415544D+01  0.611383D+01
                41            42            43            44            45 
      1   0.565212D+01  0.112000D+01 -0.688335D+00  0.872336D+01 -0.785082D+01
      2   0.199511D+01 -0.129657D+01 -0.266782D+01 -0.909006D+00  0.316495D+01
      3  -0.997001D+01 -0.152595D+01 -0.335975D+01 -0.175619D+01 -0.242538D+00
                46            47            48            49            50 
      1   0.339856D+01  0.143144D+01  0.457015D+01  0.387613D+01 -0.130006D+02
      2  -0.324579D+01  0.752996D+01 -0.239505D+01  0.615366D+01 -0.290423D+01
      3   0.232658D+00  0.138040D+01 -0.715371D+01  0.578931D+01  0.207697D+01
                51            52            53            54            55 
      1  -0.138311D+01  0.152096D+01  0.100252D+02  0.134084D+02 -0.510602D+01
      2  -0.724015D+00 -0.105565D+02  0.101356D+01  0.524430D+01  0.258947D+01
      3  -0.264800D+01 -0.698029D+01 -0.274856D+01  0.363394D+00 -0.523217D+01
                56            57            58            59            60 
      1   0.628633D+01 -0.215376D+01  0.502056D+01 -0.578756D+01 -0.626092D+01
      2   0.838901D+00 -0.396991D+01  0.928791D+00 -0.692442D+01 -0.224793D+01
      3   0.374790D+01  0.531461D+01  0.668779D+01  0.144965D+01  0.128071D+01
                61            62            63            64            65 
      1  -0.758241D+00  0.516096D+01  0.121758D+02  0.688896D+01 -0.149875D+01
      2  -0.815162D+01  0.224478D+00  0.792392D+01 -0.208607D+01  0.485544D+01
      3   0.356399D+01 -0.226729D+00  0.290658D+01 -0.205170D+01 -0.954903D+01
                66            67            68            69            70 
      1   0.385028D+01 -0.274565D+01 -0.732293D+01  0.806549D+01  0.320421D+01
      2   0.795126D+01  0.269752D+01  0.202328D+01 -0.400102D+01  0.261561D+01
      3  -0.132385D+02 -0.190680D+01  0.178552D+01  0.734269D+00 -0.106927D+02
                71            72            73            74            75 
      1   0.156220D+02 -0.241090D+01 -0.314229D+00 -0.425090D+00 -0.483914D+01
      2  -0.567320D+01  0.721689D+00  0.313475D+01  0.335511D+00  0.134252D+02
      3  -0.328104D+00  0.835575D-01 -0.323180D+01 -0.143715D+02  0.248566D+00
                76            77            78            79            80 
      1  -0.274562D+01  0.249296D+01 -0.165580D+01  0.904387D+00 -0.120419D+01
      2  -0.155295D+01  0.269734D+01  0.345766D+01  0.447868D+01  0.602251D+00
      3  -0.327774D+01 -0.751594D+01  0.228569D+00  0.496936D+00  0.718188D+00
                81            82            83            84            85 
      1  -0.489939D+01 -0.248760D+01  0.526960D-01 -0.181929D+01 -0.127273D+00
      2  -0.158000D+01 -0.122151D+02 -0.625644D+00 -0.508296D+01 -0.198098D+01
      3  -0.266396D+01  0.569190D+01  0.404552D+01  0.319867D+01  0.126036D+02
                86            87            88            89            90 
      1   0.838189D+00 -0.470610D+01 -0.422768D+01 -0.512629D+00  0.319225D+01
      2   0.594781D+01 -0.832105D+01 -0.131561D+02 -0.736711D+01  0.890953D+01
      3  -0.155698D+02 -0.628047D+01  0.464665D+01 -0.589556D+01  0.100810D+02
                91            92            93            94            95 
      1  -0.888360D+01 -0.426637D+01 -0.359534D+01 -0.623784D+01  0.165997D+02
      2  -0.108250D+02 -0.548673D+00  0.133667D+02 -0.924998D-01  0.500710D+01
      3  -0.317495D+01 -0.803770D-01  0.911465D+01  0.455458D+01 -0.405823D+01
                96            97            98            99           100 
      1  -0.576902D+01 -0.395176D+01  0.289631D+01 -0.890985D+01  0.438418D+00
      2  -0.133535D+01  0.648585D+01 -0.185923D+01  0.309252D+01  0.674790D+01
      3   0.969658D-01  0.720894D+01 -0.159328D+01  0.509926D+01  0.109867D+01
               101           102           103           104           105 
      1  -0.470122D+01 -0.210245D+01 -0.442991D+00  0.398396D+01 -0.158515D+00
      2  -0.153452D+01 -0.330764D+01 -0.270502D+01  0.142203D+01  0.177322D+01
      3  -0.139241D+01 -0.927750D+00  0.661915D+00  0.328143D+00  0.251964D+00
               106           107           108           109           110 
      1  -0.157705D+01  0.505936D+01  0.318747D+01 -0.316286D+00  0.376584D+01
      2  -0.585150D+01  0.143513D+01  0.351325D+01 -0.109990D+02  0.154311D+01
      3  -0.325187D+00  0.138192D+01  0.688247D+00 -0.310608D+01 -0.179806D+01
               111           112           113           114           115 
      1  -0.314164D+00  0.117749D+01 -0.168078D+01 -0.266330D+00  0.206251D+00
      2  -0.436899D+01  0.232521D+01 -0.177236D+01  0.191380D+01 -0.531111D+01
      3  -0.168525D+01  0.143875D+01  0.140522D+00  0.567049D+00 -0.154747D+01
               116           117           118           119           120 
      1   0.172914D+01  0.460826D+00 -0.407535D+00  0.308740D+01  0.287347D+01
      2   0.156039D+01 -0.360744D+01 -0.202964D+01  0.236637D+01  0.131301D-01
      3  -0.487402D+00 -0.144758D+01 -0.499735D+01  0.642288D+01 -0.181876D+01
               121           122           123           124           125 
      1   0.196416D+01 -0.566509D+01 -0.430366D+01  0.978000D+00  0.538434D-02
      2   0.214428D+01 -0.352500D+01  0.454133D+00 -0.142965D+01  0.101454D+01
      3   0.761954D+01 -0.103665D+02  0.149079D+01 -0.970380D+00  0.735589D+00
               126           127           128           129           130 
      1  -0.695056D+00  0.288373D+01 -0.867990D+00 -0.463821D+01  0.189178D+00
      2  -0.227030D+00  0.640915D+01  0.146060D+01  0.165668D+01  0.894782D+00
      3  -0.191089D+01  0.150695D+02  0.141575D+01 -0.382719D+01  0.280170D+01
               131           132           133           134           135 
      1   0.566833D+00 -0.837742D+00 -0.281245D+01  0.129619D+01  0.183079D+01
      2   0.708905D+00  0.127644D+00 -0.207113D+01 -0.443200D+00 -0.154768D+00
      3   0.124868D+01 -0.108552D+01 -0.408986D+01 -0.803481D+00  0.315797D+01
               136           137           138           139           140 
      1  -0.141130D+01  0.348774D+00  0.257051D+01  0.326523D+00 -0.153327D+01
      2  -0.127403D+01  0.640404D+00  0.127110D+01  0.614891D+00 -0.199409D+00
      3   0.306862D+00 -0.205247D+01  0.856391D+00 -0.887314D-01 -0.135624D+01
               141           142           143           144           145 
      1   0.372018D+01  0.264172D+01  0.139371D+01 -0.177325D+02  0.345257D+01
      2   0.214778D+01 -0.290408D+01 -0.113136D+01 -0.102233D+02  0.341756D+01
      3   0.987043D+00  0.247746D+01  0.190606D+01 -0.263771D+01 -0.121686D+01
               146           147           148           149           150 
      1  -0.663548D+01  0.117497D+00 -0.421271D+01  0.114110D+02 -0.224604D+01
      2  -0.356513D+01  0.218954D+01 -0.387443D+01  0.556242D+01 -0.996226D+00
      3  -0.216066D+01 -0.845807D+00  0.370062D+01  0.459819D+01 -0.484093D+00
               151           152           153           154           155 
      1   0.125368D+01 -0.325160D+01  0.559745D+00 -0.204452D+01  0.127813D+01
      2   0.963554D+00 -0.183062D+01  0.592686D+00 -0.203212D+01 -0.643604D+00
      3  -0.121576D+01 -0.114486D+01  0.289997D+00  0.528759D+01 -0.396490D+00
               156           157           158           159           160 
      1  -0.347281D+01 -0.316538D+00 -0.135692D+00 -0.370811D+01 -0.196152D+01
      2   0.162230D+01 -0.145740D+01 -0.284986D+00  0.132515D+01 -0.194236D+01
      3   0.294780D+01  0.284228D+01  0.644119D+00  0.458852D+00  0.377367D+01
               161           162           163           164           165 
      1   0.232831D+00 -0.403195D+01 -0.432985D+01  0.138101D+01 -0.567283D+01
      2   0.109530D+01  0.214640D+01 -0.543828D+01 -0.949094D+00  0.255891D+00
      3  -0.716243D+00  0.143304D+01  0.110570D+02 -0.213633D+00  0.649829D+01
               166           167           168           169           170 
      1   0.165936D+00 -0.254326D+00 -0.131569D+01 -0.440819D+01 -0.229632D+00
      2  -0.519944D+00 -0.106244D+01 -0.253546D-01 -0.354756D+01 -0.803096D-01
      3   0.138967D+01  0.165481D+01  0.663657D+00  0.664549D+01  0.443927D+00
               171           172           173           174           175 
      1  -0.514174D+01  0.148252D+01  0.210222D+01 -0.115878D+01  0.194674D+01
      2  -0.115369D+00 -0.595416D+00 -0.173976D+01  0.112207D+01 -0.612306D+00
      3   0.478491D+01  0.844018D+00  0.876205D+00 -0.108202D+00  0.355619D+01
               176           177           178           179           180 
      1   0.113766D+02 -0.961760D+01 -0.947635D+00 -0.881462D+01  0.113468D+02
      2  -0.281708D+01  0.209604D+01 -0.397703D+00  0.265507D+01 -0.336407D+01
      3  -0.213314D+01  0.821997D+00 -0.238648D+01  0.153831D+01 -0.117919D+01
               181           182           183           184           185 
      1  -0.260135D+01 -0.158625D+01  0.374781D+01  0.231237D+00  0.422078D+00
      2   0.730568D+01 -0.290219D+01 -0.272419D+01 -0.212629D+01  0.215712D+01
      3  -0.995967D+01  0.319735D+01  0.561602D+01  0.424600D+01 -0.329116D+01
               186           187           188           189           190 
      1  -0.273400D+01  0.187281D+01 -0.403044D+00 -0.396502D+01 -0.103960D+01
      2   0.142171D+01 -0.510668D+01  0.251758D+01  0.302680D+01 -0.224438D+01
      3  -0.245018D+01  0.586744D+01 -0.223795D+01 -0.446424D+01 -0.240186D+01
               191           192           193           194           195 
      1  -0.529433D+00  0.612353D+00 -0.108702D-01 -0.231520D+01  0.133863D+01
      2  -0.256659D+00  0.341395D+01  0.518149D+00 -0.452543D+01  0.659608D+01
      3  -0.168827D+01  0.142205D+01 -0.183207D+00 -0.448324D+01  0.494134D+01
               196           197           198           199           200 
      1   0.835139D+00  0.441642D+01 -0.376105D+01  0.314594D+00 -0.524754D+00
      2   0.949166D+00  0.599621D+01 -0.157870D+02  0.185669D+00  0.246064D+00
      3   0.614314D+00  0.640875D+01 -0.637792D+01  0.284482D+01 -0.327109D+01
               201           202           203           204           205 
      1   0.467632D+00 -0.169000D-01  0.140232D+01 -0.329493D+01  0.338518D+00
      2   0.158489D+01  0.709319D+00 -0.341541D+01 -0.401297D+01  0.839957D+00
      3  -0.606761D+00 -0.239576D+01  0.204001D+02  0.326579D+01 -0.683763D+00
               206           207           208           209           210 
      1   0.657117D+00 -0.695005D+00  0.189461D+01  0.861199D+00  0.839694D+00
      2  -0.192775D+01 -0.220024D+01  0.812272D+01  0.139527D+01  0.816338D+01
      3   0.332852D+01  0.176982D+01 -0.677436D+01 -0.565059D+01 -0.265692D+01
               211           212           213           214           215 
      1   0.734509D+00  0.704214D+00 -0.287406D+00  0.209908D+01  0.162945D+01
      2   0.206762D+01  0.106844D+01  0.345331D+01  0.568593D+01  0.189571D+01
      3  -0.384636D+01 -0.190874D+01 -0.129236D+01 -0.392042D+01 -0.354417D+01
               216           217           218           219           220 
      1   0.839754D+00  0.442646D+01 -0.339887D+01 -0.225346D+01 -0.177745D+01
      2   0.756871D+01  0.153863D+02 -0.684585D+00 -0.505183D+01 -0.670839D+00
      3  -0.336173D+01  0.821953D+01 -0.179531D+01 -0.344292D+01  0.554149D+00
               221           222           223           224           225 
      1   0.103967D+00  0.546069D-01 -0.203261D+01  0.174776D+01  0.293560D+01
      2   0.215265D+01 -0.472555D+00 -0.745427D+01 -0.504886D+00  0.460041D+01
      3   0.129810D+01 -0.763514D+00 -0.330076D+01  0.200205D+00  0.229604D+01
               226           227           228           229           230 
      1   0.495205D+01  0.392388D+01  0.512550D+01  0.282559D+01  0.171206D+01
      2  -0.498644D+01 -0.918554D+00 -0.762280D+00 -0.204702D+01 -0.840159D+00
      3  -0.402585D+01 -0.312888D+01 -0.385324D+01 -0.133354D+01 -0.144452D+01
               231           232           233           234           235 
      1   0.291226D+01  0.430048D+01  0.399475D+01  0.802728D+01 -0.159003D+01
      2   0.630508D+00 -0.547795D+01  0.368846D-01 -0.785619D-01 -0.775584D-01
      3  -0.170679D+01 -0.359748D+01 -0.181253D+01 -0.425621D+01  0.262888D+00
               236           237           238           239           240 
      1   0.280415D+01  0.817204D+00  0.309747D+01 -0.180624D+02 -0.351635D+01
      2   0.178481D+01  0.488283D+00  0.284624D+01 -0.195234D+01 -0.159088D+01
      3  -0.789774D+00 -0.236714D+00  0.323884D+01  0.687330D+01 -0.789848D+00
               241           242           243 
      1   0.510208D+00 -0.181085D+01 -0.239620D+01
      2  -0.555853D+00 -0.663050D+00 -0.916826D+00
      3   0.112635D+00  0.107113D+01  0.407683D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.945030D+01  0.359918D+01  0.132800D+02  0.454419D+01  0.758702D+01
      2  -0.963085D+00 -0.240373D+01 -0.880472D+01 -0.375905D+01 -0.162399D+01
      3   0.104134D+02 -0.119545D+01 -0.447527D+01 -0.785136D+00 -0.596303D+01
      4  -0.231444D+00  0.416827D+01 -0.498985D+01  0.571507D+01 -0.118111D+02
      5   0.118556D+02 -0.108830D+01  0.763004D+01  0.519619D+00  0.482060D+00
      6  -0.751728D+01  0.226956D+01 -0.159194D+01  0.287149D+01 -0.502039D+01
                 6             7             8             9            10 
      1  -0.411922D+01  0.172531D+02 -0.256240D+01  0.910890D+01  0.800640D+00
      2  -0.334376D+01 -0.941076D+01 -0.170241D+01 -0.466981D+01 -0.485593D+00
      3   0.746298D+01 -0.784234D+01  0.426480D+01 -0.443909D+01 -0.315047D+00
      4  -0.460252D+00 -0.440520D+01 -0.149018D+00  0.182137D+01  0.600215D+01
      5   0.564777D+01  0.903895D+01  0.500001D+01 -0.158605D+01 -0.193821D+01
      6  -0.353116D+01 -0.159314D+01 -0.403750D+01  0.260779D+01  0.688966D+01
                11            12            13            14            15 
      1   0.493425D+01  0.101735D+01  0.730549D+01 -0.803254D+00 -0.126331D+02
      2  -0.193636D+01  0.388225D+01  0.458877D-01  0.734691D+01 -0.311575D+01
      3  -0.299788D+01 -0.489960D+01 -0.735137D+01 -0.654365D+01  0.157488D+02
      4   0.278567D+01  0.313143D+01  0.400645D+00  0.164693D+01 -0.125247D+01
      5  -0.186194D+01  0.339586D+01 -0.229174D+01 -0.196290D+01 -0.360155D+01
      6  -0.133253D+01  0.773303D+00 -0.546928D+00  0.323199D+01 -0.344686D+01
                16            17            18            19            20 
      1  -0.137857D+02 -0.678182D+01 -0.224659D+01  0.653510D+01 -0.286886D+01
      2   0.538385D+01 -0.303620D+01  0.620978D+00  0.114130D+02 -0.103093D+02
      3   0.840181D+01  0.981802D+01  0.162561D+01 -0.179481D+02  0.131782D+02
      4   0.608622D+01 -0.390118D+01  0.247836D+01  0.406371D+01 -0.278403D+01
      5   0.180037D+01 -0.160745D+00  0.441776D-01 -0.917468D+01  0.312713D+01
      6   0.234834D+00  0.574389D+00  0.103090D+02  0.431152D+01 -0.944869D+00
                21            22            23            24            25 
      1  -0.839216D+01 -0.106235D+02 -0.600115D+01  0.134368D+02 -0.160092D+01
      2  -0.452441D+01 -0.684766D+01 -0.559494D+01  0.122521D+01 -0.564869D+01
      3   0.129166D+02  0.174712D+02  0.115961D+02 -0.146620D+02  0.724961D+01
      4   0.316142D+01 -0.215285D+01 -0.288859D+01 -0.186335D+01  0.136086D+01
      5  -0.200648D+02  0.513232D+01  0.248468D+01  0.108075D+02 -0.135903D+02
      6   0.986871D+01 -0.268983D+01 -0.439325D+01  0.655906D+01  0.722966D+01
                26            27            28            29            30 
      1   0.633594D+01  0.337071D+01 -0.491522D+01 -0.150520D+02  0.577276D+01
      2   0.842187D+00  0.114943D+02 -0.603299D+01  0.237520D+02  0.753959D+00
      3  -0.717813D+01 -0.148650D+02  0.109482D+02 -0.869995D+01 -0.652672D+01
      4  -0.170330D+01  0.358263D+01 -0.175365D+02 -0.115851D+02  0.117694D+02
      5   0.755479D+01  0.289906D+01  0.114010D+02  0.754226D+01 -0.292231D+01
      6   0.451032D+01 -0.441169D+01  0.144671D+02 -0.107247D+01 -0.489374D+01
                31            32            33            34            35 
      1  -0.962515D+01  0.151940D+02 -0.275319D+00  0.474888D+01  0.129242D+01
      2   0.164921D+02 -0.222226D+02  0.858336D+01  0.622411D+00  0.717812D+01
      3  -0.686690D+01  0.702859D+01 -0.830804D+01 -0.537129D+01 -0.847053D+01
      4  -0.364303D+01  0.117778D+02  0.164160D+01  0.999027D+01  0.332628D+01
      5   0.293551D+01 -0.335361D+01  0.202953D+00 -0.395860D+01  0.520403D+00
      6  -0.150900D+01  0.890229D+01  0.129049D+01 -0.307617D+01  0.286462D+01
                36            37            38            39            40 
      1  -0.754838D+01  0.869008D+00  0.393824D+01 -0.311346D+00  0.270395D+01
      2   0.579560D+01  0.143166D+01 -0.886508D+01 -0.320403D+01 -0.559045D+01
      3   0.175278D+01 -0.230067D+01  0.492685D+01  0.351537D+01  0.288649D+01
      4   0.263739D+01  0.746137D+00 -0.710585D+01 -0.109698D+02 -0.646946D+01
      5  -0.137552D+01 -0.534568D+01 -0.821977D+01 -0.918348D+01 -0.439902D+01
      6  -0.937509D+01 -0.122267D+02 -0.107985D+02 -0.359029D+01 -0.774296D+01
                41            42            43            44            45 
      1  -0.817848D+01 -0.745331D-01 -0.288766D+01 -0.971535D+00  0.252001D+01
      2   0.112645D+02 -0.766098D+00  0.317416D+00 -0.925221D+00 -0.792406D+01
      3  -0.308601D+01  0.840631D+00  0.257025D+01  0.189676D+01  0.540405D+01
      4  -0.268031D+01 -0.495412D+01 -0.874576D+01 -0.504920D+01 -0.111182D+02
      5  -0.528694D+01 -0.682239D+01 -0.744124D+01 -0.898248D+01 -0.545592D+01
      6   0.621178D+00 -0.813734D+01 -0.614454D+01 -0.111251D+02  0.206061D+01
                46            47            48            49            50 
      1  -0.536304D+02 -0.712524D+01  0.335102D+01 -0.188914D+02  0.778350D+00
      2   0.253454D+02 -0.138058D+01 -0.326549D+01  0.864814D+01 -0.336308D+01
      3   0.282850D+02  0.850583D+01 -0.855316D-01  0.102433D+02  0.258473D+01
      4  -0.137951D+02 -0.815827D+01  0.260262D+01  0.344492D+00 -0.436333D+01
      5   0.573116D+01  0.479946D+01 -0.756424D+01  0.321132D+01  0.413028D+00
      6   0.691405D+00  0.983133D+00 -0.552145D+01  0.309708D+01 -0.464349D+01
                51            52            53            54            55 
      1   0.122165D+02  0.828249D+00  0.977098D+01 -0.528383D+00  0.258705D+01
      2  -0.820229D+00  0.165631D+01 -0.506596D+01 -0.216911D+01 -0.696943D+01
      3  -0.113963D+02 -0.248456D+01 -0.470502D+01  0.269749D+01  0.438238D+01
      4   0.181699D+01 -0.739369D+00  0.345590D+01 -0.284477D+01  0.239472D+01
      5  -0.437115D+01  0.460276D+01 -0.104987D+01 -0.564287D+00 -0.183767D+01
      6  -0.227182D+01 -0.524857D+00  0.654633D+00 -0.616252D+01  0.386781D+01
                56            57            58            59            60 
      1  -0.750864D+01 -0.683514D+01  0.162611D+01 -0.182864D+01 -0.859056D+01
      2   0.168131D+02  0.192295D+01  0.936876D+01 -0.121027D+02 -0.170987D+00
      3  -0.930441D+01  0.491218D+01 -0.109949D+02  0.139313D+02  0.876155D+01
      4  -0.131417D+02  0.315024D+00 -0.861254D+01  0.178343D+02 -0.134797D+01
      5  -0.163221D+01  0.455589D-01 -0.359029D+00  0.310074D+01 -0.516889D+00
      6   0.962933D+01  0.353646D+01  0.378084D+01  0.959879D+00  0.871808D+01
                61            62            63            64            65 
      1   0.231556D+01 -0.269913D+01  0.105540D+02  0.557262D+01 -0.555226D+01
      2  -0.555328D+01  0.774890D+01  0.157412D+02  0.394702D+01  0.253804D+01
      3   0.323772D+01 -0.504978D+01 -0.262952D+02 -0.951964D+01  0.301422D+01
      4   0.318786D+01 -0.369064D+01  0.606307D+01 -0.575927D+01 -0.972300D+01
      5   0.612100D+00  0.784802D+00  0.135414D+02 -0.920938D+01 -0.848643D+01
      6   0.132002D+01  0.543160D+01 -0.902294D+01 -0.212129D+02  0.749517D+01
                66            67            68            69            70 
      1  -0.953394D+01 -0.521381D+01 -0.132794D+01 -0.239782D+01 -0.784964D+01
      2   0.113420D+02  0.128432D+01 -0.484715D+01  0.172090D+02  0.104345D+02
      3  -0.180808D+01  0.392949D+01  0.617509D+01 -0.148112D+02 -0.258482D+01
      4  -0.190997D+02 -0.611568D+01  0.162819D+01  0.874023D+01 -0.163878D+02
      5  -0.180700D+02 -0.407015D+01  0.707423D+01  0.494389D+00 -0.150646D+02
      6  -0.743843D+00  0.729416D+01  0.137508D+02 -0.624064D+01 -0.496959D+00
                71            72            73            74            75 
      1  -0.572139D+01  0.371192D+01  0.106833D+03  0.136378D+02 -0.429590D+01
      2   0.213563D+02 -0.784230D+01 -0.517687D+02 -0.379604D+01  0.294320D+01
      3  -0.156349D+02  0.413038D+01 -0.550647D+02 -0.984177D+01  0.135270D+01
      4   0.978187D+01 -0.463364D+01  0.182964D+02  0.208537D+02 -0.213644D+01
      5  -0.987118D+00 -0.146588D+01 -0.902517D+01 -0.291495D+01  0.187388D+02
      6  -0.106169D+02 -0.678967D+01 -0.516626D+01 -0.282258D+01  0.348044D+01
                76            77            78            79            80 
      1   0.168251D+02  0.139223D+02 -0.314953D+01  0.189009D+01 -0.210736D+01
      2  -0.699078D+01 -0.172004D+01  0.160997D+01  0.178320D+01  0.874047D+00
      3  -0.983437D+01 -0.122022D+02  0.153955D+01 -0.367329D+01  0.123331D+01
      4   0.248078D+02  0.129622D+02 -0.285446D+01 -0.314596D+01 -0.181166D+01
      5  -0.496067D+01 -0.346436D+01  0.512719D+01  0.210707D+02  0.484953D+01
      6  -0.354907D+01 -0.235586D+01  0.495993D+01  0.259030D+01  0.417399D+01
                81            82            83            84            85 
      1   0.108134D+02 -0.443185D+01 -0.116855D+02 -0.247373D+02 -0.172403D+02
      2  -0.990258D+01  0.480272D+01  0.862429D+01  0.130994D+02  0.147172D+02
      3  -0.910869D+00 -0.370872D+00  0.306121D+01  0.116379D+02  0.252310D+01
      4   0.415823D+01 -0.104274D+02 -0.584492D+01  0.124625D+01 -0.107089D+02
      5  -0.447811D+01 -0.252288D+02 -0.958680D+00 -0.107147D+02 -0.408062D+01
      6  -0.961455D+00  0.433773D+01  0.892379D+00  0.920409D+00  0.171244D+01
                86            87            88            89            90 
      1  -0.127669D+01 -0.611845D+00 -0.309386D+02 -0.620107D+00 -0.139329D+02
      2  -0.981281D+01 -0.269896D+01  0.158648D+02 -0.294795D+01  0.112239D+02
      3   0.110895D+02  0.331080D+01  0.150737D+02  0.356805D+01  0.270901D+01
      4   0.271120D+02  0.722610D+01 -0.952851D+00  0.697816D+01 -0.990250D+01
      5   0.743307D+01 -0.127160D+02 -0.157493D+02 -0.116994D+02  0.936625D+01
      6  -0.567457D+01  0.126292D+01  0.829901D+00  0.152513D+01 -0.859257D+00
                91            92            93            94            95 
      1   0.109234D+02 -0.241596D+01 -0.844405D+01 -0.380132D+01  0.388332D+01
      2   0.113678D+02  0.843950D+01  0.138339D+02  0.113630D+02 -0.243663D+02
      3  -0.222911D+02 -0.602354D+01 -0.538981D+01 -0.756166D+01  0.204829D+02
      4  -0.578996D+01 -0.200716D+01  0.677588D+01 -0.274339D+01  0.148568D+02
      5  -0.350027D+01 -0.226626D+01 -0.231308D+02 -0.505492D+01 -0.311277D+01
      6   0.517508D+01 -0.266993D+01 -0.312698D+01 -0.422515D+01  0.122845D+02
                96            97            98            99           100 
      1   0.545870D+01 -0.810316D+01  0.680820D+01 -0.955688D+01 -0.178325D+01
      2   0.796915D+01  0.135532D+02  0.583186D+00  0.142160D+02 -0.939765D+01
      3  -0.134278D+02 -0.544999D+01 -0.739138D+01 -0.465915D+01  0.111809D+02
      4   0.163190D+01  0.578497D+01  0.401382D+01 -0.259209D+01 -0.114549D+01
      5  -0.100103D+02 -0.209870D+02 -0.695719D+01 -0.979474D+01 -0.105318D+02
      6   0.822298D+01 -0.140085D+01  0.977519D+01 -0.992507D+01 -0.121067D+00
               101           102           103           104           105 
      1  -0.231616D+00  0.724596D+01  0.273809D+01 -0.291653D+01 -0.803790D+01
      2   0.385853D+01  0.116248D+02  0.344614D+01 -0.176300D+01 -0.661573D+01
      3  -0.362691D+01 -0.188707D+02 -0.618423D+01  0.467953D+01  0.146536D+02
      4   0.212666D+01 -0.211027D+00  0.170675D+01 -0.106333D+01 -0.130339D+01
      5   0.215422D+01  0.152051D+02  0.276142D+01 -0.385013D+01 -0.467028D+01
      6  -0.438257D+01 -0.938525D+00 -0.259760D+01  0.519174D+01  0.621285D+01
               106           107           108           109           110 
      1   0.456001D+01 -0.238849D+01 -0.176939D+02  0.341523D+01  0.191045D+01
      2   0.780473D+01 -0.351522D+01 -0.222680D+02 -0.120500D+02  0.123076D+01
      3  -0.123647D+02  0.590371D+01  0.399619D+02  0.863482D+01 -0.314121D+01
      4  -0.252814D+00 -0.124983D+01 -0.112596D+01 -0.921554D+01  0.553554D+01
      5   0.114935D+02 -0.327117D+01 -0.143532D+02  0.224263D+02 -0.523809D+01
      6  -0.961484D+00  0.539981D+01  0.119269D+01 -0.756219D+01  0.733237D+01
               111           112           113           114           115 
      1  -0.259024D+01  0.146180D+01 -0.167315D+01  0.215508D+01 -0.204691D+01
      2  -0.104050D+02  0.102807D+01  0.138578D+01  0.788218D-01 -0.636487D+01
      3   0.129952D+02 -0.248987D+01  0.287377D+00 -0.223390D+01  0.841177D+01
      4  -0.704347D+01  0.577376D+01 -0.270948D+01  0.371285D+01 -0.413674D+01
      5   0.203022D+02 -0.442617D+01  0.441744D+01 -0.472634D+01  0.132159D+02
      6  -0.927236D+01  0.560635D+01 -0.562854D+01  0.735780D+01 -0.597459D+01
               116           117           118           119           120 
      1   0.167677D+01 -0.709187D+01 -0.305699D+01  0.118165D+02 -0.374919D+01
      2   0.365809D+00 -0.120302D+02  0.894629D+01 -0.212128D+02  0.275068D+01
      3  -0.204258D+01  0.191221D+02 -0.588930D+01  0.939630D+01  0.998512D+00
      4   0.203697D+01 -0.511732D+01 -0.566009D+01  0.117931D+02 -0.314024D+01
      5  -0.415143D+01  0.139225D+02  0.127542D+01 -0.385019D+01  0.227934D+01
      6   0.495684D+01 -0.808700D+01 -0.540490D+01  0.857308D+01 -0.502426D+01
               121           122           123           124           125 
      1   0.683536D+01 -0.308470D+02  0.630378D+01 -0.136730D+01  0.374044D+01
      2  -0.113321D+02  0.557232D+02 -0.836122D+01  0.998835D-01 -0.314599D+01
      3   0.449674D+01 -0.248762D+02  0.205744D+01  0.126741D+01 -0.594446D+00
      4   0.874526D+01 -0.779538D+01  0.620830D+00 -0.164306D+01  0.394270D+00
      5  -0.296506D+01  0.246014D+01 -0.628747D+00  0.198460D+01 -0.685626D+00
      6   0.353873D+01 -0.206731D+02  0.107628D+02 -0.250394D+01  0.104043D+02
               126           127           128           129           130 
      1  -0.506444D+01  0.178678D+02  0.291315D+01 -0.192467D+01  0.132195D+01
      2   0.511179D+01 -0.278496D+01  0.501603D+01  0.614638D+00  0.331827D+01
      3  -0.473479D-01 -0.150829D+02 -0.792918D+01  0.131004D+01 -0.464021D+01
      4  -0.228360D+01  0.303361D+02  0.193217D+02 -0.110555D+02  0.120076D+02
      5   0.106423D+01 -0.183677D+02 -0.877429D+01  0.102146D+02 -0.420619D+01
      6  -0.351878D+01 -0.136774D+02 -0.965157D+01  0.105068D+02 -0.546600D+01
               131           132           133           134           135 
      1  -0.113606D+01  0.751691D+00 -0.194451D+01  0.907650D+00  0.891432D+00
      2   0.824102D+01 -0.316293D+01  0.192465D+01 -0.234676D+01 -0.305469D+01
      3  -0.710496D+01  0.241124D+01  0.198645D-01  0.143911D+01  0.216326D+01
      4   0.927808D+01 -0.455042D+01 -0.854573D+01 -0.544983D+01  0.713839D+01
      5  -0.432017D+01  0.260725D+01  0.102914D+02  0.465373D+01 -0.711652D+01
      6  -0.747824D+01  0.447148D+01  0.833505D+01  0.672905D+01 -0.699965D+01
               136           137           138           139           140 
      1  -0.105963D+01  0.111524D+01 -0.149173D+00  0.187219D+01 -0.314644D+01
      2  -0.398682D+01 -0.121483D+01  0.439051D+01 -0.280892D+01  0.829841D+00
      3   0.504645D+01  0.995964D-01 -0.424134D+01  0.936728D+00  0.231660D+01
      4  -0.131516D+01  0.417825D+01  0.374663D+01  0.131781D+01 -0.243191D+01
      5  -0.502008D+01  0.147341D+01  0.104933D+02 -0.197310D+01 -0.216853D+01
      6   0.222730D+01 -0.226993D+01 -0.272940D+01 -0.127103D+01  0.193611D+01
               141           142           143           144           145 
      1   0.300797D-02 -0.813402D+00 -0.524726D+01 -0.238396D+02  0.567180D+01
      2   0.578378D+01  0.528959D+01  0.571773D+00 -0.225223D+02  0.578565D+01
      3  -0.578679D+01 -0.447618D+01  0.467548D+01  0.463619D+02 -0.114574D+02
      4  -0.135204D+01  0.375683D+01 -0.293195D+01 -0.698510D+01 -0.169278D+02
      5   0.319367D+01  0.918257D+01 -0.325152D+01 -0.209344D+02 -0.410602D+01
      6   0.474273D+01 -0.411842D+01  0.854218D+01  0.211378D+02  0.391489D+01
               146           147           148           149           150 
      1   0.145228D+00  0.153716D+01  0.191478D+00 -0.126754D+02 -0.174413D+01
      2  -0.112601D+02 -0.138324D+01 -0.109684D+02  0.348776D+02  0.163134D+01
      3   0.111148D+02 -0.153927D+00  0.107769D+02 -0.222022D+02  0.112794D+00
      4   0.214925D+02  0.336256D+01  0.177446D+02 -0.288681D+02 -0.294083D+01
      5   0.581497D+01  0.392817D+01  0.435347D+01 -0.450423D+01 -0.313727D+01
      6  -0.684020D+01 -0.409453D+01 -0.594012D+01  0.122293D+02  0.641350D+01
               151           152           153           154           155 
      1   0.237105D+01 -0.360225D+00 -0.353723D+01  0.555443D+01 -0.425262D+00
      2   0.976345D+00 -0.547902D+01  0.166658D+01 -0.421810D+00  0.538198D+01
      3  -0.334740D+01  0.583924D+01  0.187065D+01 -0.513262D+01 -0.495672D+01
      4  -0.354311D+01  0.426974D+01 -0.416731D+01  0.162044D+02  0.151689D+02
      5   0.150544D+01 -0.267026D+01 -0.146373D+01  0.140351D+02  0.871363D+01
      6  -0.236104D+01  0.482649D+01  0.224766D+01  0.111594D+02  0.956877D+01
               156           157           158           159           160 
      1   0.117248D+01 -0.173834D+01 -0.541374D+01 -0.363991D+01  0.477892D+00
      2  -0.107893D+01  0.565275D+01  0.112702D+02  0.469587D+01 -0.148318D+01
      3  -0.935451D-01 -0.391441D+01 -0.585642D+01 -0.105596D+01  0.100528D+01
      4   0.109279D+02  0.120991D+02  0.130322D+02  0.792017D+01  0.961681D+01
      5   0.121270D+02  0.583385D+01  0.769681D+01  0.573054D+01  0.118122D+02
      6   0.960369D+01  0.785254D+01  0.119769D+02  0.122319D+02  0.959489D+01
               161           162           163           164           165 
      1  -0.427955D+01 -0.546641D+01  0.902407D+01 -0.171051D+01  0.166106D+01
      2   0.341408D+01 -0.172584D+00 -0.920415D+01  0.477643D+01 -0.775297D+01
      3   0.865473D+00  0.563900D+01  0.180077D+00 -0.306593D+01  0.609190D+01
      4   0.884722D+01  0.107349D+02  0.208195D+02  0.126229D+02  0.145278D+02
      5   0.809887D+01  0.132891D+02  0.214799D+02  0.801310D+01  0.184872D+02
      6   0.143572D+02  0.161804D+02  0.145047D+02  0.901746D+01  0.132482D+02
               166           167           168           169           170 
      1  -0.950038D+00 -0.585947D+00 -0.108776D+01  0.188870D+01 -0.235878D+01
      2   0.348686D+01  0.225025D+01  0.166596D+01 -0.747710D+01 -0.135471D+00
      3  -0.253682D+01 -0.166430D+01 -0.578196D+00  0.558840D+01  0.249425D+01
      4   0.639013D+01  0.508311D+01  0.309835D+01  0.121918D+02  0.496113D+01
      5   0.193595D+01  0.357687D+01  0.114024D+01  0.157244D+02  0.499596D+01
      6   0.395464D+01  0.290257D+01  0.530124D+01  0.101192D+02  0.102172D+02
               171           172           173           174           175 
      1  -0.395711D+01 -0.660922D+00  0.926108D-01  0.549165D+00 -0.544371D+00
      2  -0.636756D+01  0.337860D+01  0.440049D+01 -0.276008D+01  0.482045D+01
      3   0.103247D+02 -0.271768D+01 -0.449310D+01  0.221091D+01 -0.427608D+01
      4   0.101172D+02  0.452578D+01  0.897392D+01 -0.131351D+01  0.751635D+01
      5   0.151445D+02  0.489908D+00  0.489851D+00  0.372994D+01  0.421829D+00
      6   0.145545D+02  0.415282D+00 -0.157696D+01  0.159192D+01 -0.147932D+01
               176           177           178           179           180 
      1  -0.142408D+02  0.432900D+01  0.466741D+00  0.916495D+01 -0.376007D+01
      2   0.356752D+02 -0.135615D+02 -0.391906D+01 -0.233757D+02  0.100748D+02
      3  -0.214344D+02  0.923248D+01  0.345232D+01  0.142108D+02 -0.631470D+01
      4   0.967849D+01 -0.407410D+01 -0.431795D+01 -0.787991D+01  0.363195D+01
      5  -0.243320D+01  0.164706D+01  0.240481D+01  0.235224D+01 -0.275582D+01
      6  -0.637832D+01  0.924029D+01  0.119787D+01  0.860092D+01 -0.121868D+02
               181           182           183           184           185 
      1  -0.308762D+01  0.953757D+01  0.908844D+01  0.474028D+01 -0.859144D+01
      2   0.414266D+00 -0.103263D+02 -0.230817D+01 -0.535813D+01  0.106184D+02
      3   0.267335D+01  0.788779D+00 -0.678027D+01  0.617844D+00 -0.202700D+01
      4  -0.138426D+02  0.896149D+01  0.999125D+01  0.633909D+01 -0.690902D+01
      5  -0.958756D+01  0.572142D+01  0.893943D+01  0.292688D+01 -0.465469D+01
      6   0.115195D+02 -0.132158D+02 -0.134984D+02 -0.703917D+01  0.966653D+01
               186           187           188           189           190 
      1  -0.600410D+01  0.598975D+01 -0.864087D+01 -0.120248D+02  0.647544D+01
      2   0.386658D+01 -0.141282D+01  0.401023D+01  0.104422D+01 -0.557491D+01
      3   0.213753D+01 -0.457693D+01  0.463065D+01  0.109805D+02 -0.900523D+00
      4  -0.517845D+01  0.893806D+01 -0.548605D+01 -0.620390D+01  0.351613D+01
      5  -0.256951D+01  0.821085D+01 -0.306919D+01 -0.594206D+01 -0.563707D+01
      6   0.104492D+02 -0.818455D+01  0.147413D+02  0.176731D+02 -0.919824D+00
               191           192           193           194           195 
      1   0.418484D+01 -0.413061D+01  0.926725D+01 -0.805614D-01 -0.144253D+01
      2  -0.282859D+01  0.450576D+01 -0.602273D+01  0.754211D+00  0.293166D+01
      3  -0.135625D+01 -0.375148D+00 -0.324452D+01 -0.673650D+00 -0.148913D+01
      4   0.276500D+01 -0.203902D+01  0.356030D+01  0.345734D+01 -0.609899D+01
      5  -0.294339D+01  0.105571D+02 -0.400513D+01 -0.603098D+01  0.933811D+01
      6  -0.522758D+00 -0.822110D-01 -0.427301D+00 -0.160559D+01  0.213663D+01
               196           197           198           199           200 
      1  -0.976989D+01  0.704895D-01  0.477539D+01  0.634809D+01 -0.523280D+01
      2   0.771122D+01  0.251473D+01 -0.124174D+02 -0.160766D+00  0.126968D+00
      3   0.205867D+01 -0.258522D+01  0.764200D+01 -0.618732D+01  0.510583D+01
      4  -0.622052D+00 -0.763675D+01  0.650007D+01 -0.782217D+01  0.115295D+02
      5   0.149536D+02  0.754353D+01 -0.255037D+02  0.324006D+00  0.257518D+01
      6  -0.110711D+01  0.297692D+01  0.846016D+00  0.140402D+01 -0.124674D+01
               201           202           203           204           205 
      1   0.842097D+00 -0.100188D+02 -0.244576D+01  0.388257D+00  0.145768D+01
      2  -0.713726D+00 -0.178444D+01  0.204741D+02  0.174539D+01 -0.102832D+01
      3  -0.128371D+00  0.118032D+02 -0.180283D+02 -0.213365D+01 -0.429367D+00
      4   0.227209D+01  0.207618D+02 -0.382651D+02 -0.595933D+01  0.294347D+01
      5   0.316889D+01  0.404152D+01 -0.539637D+01 -0.559334D+01  0.570021D+01
      6  -0.850088D+00 -0.245869D+01  0.721847D+01  0.621221D+01 -0.229084D+01
               206           207           208           209           210 
      1  -0.161058D+00  0.792421D+00  0.510999D+02  0.620842D+01  0.165367D+02
      2   0.160204D+01  0.413466D+00 -0.277436D+02 -0.376423D+01 -0.978987D+01
      3  -0.144098D+01 -0.120589D+01 -0.233563D+02 -0.244419D+01 -0.674686D+01
      4  -0.510118D+01 -0.409683D+01  0.278177D+01  0.765480D+01  0.102688D+01
      5  -0.430655D+01 -0.369108D+01  0.194393D+02  0.216165D+01  0.137292D+02
      6   0.599628D+01  0.244469D+01 -0.188842D+01  0.507017D+00 -0.125501D+01
               211           212           213           214           215 
      1   0.146014D+02  0.610527D+01  0.360352D+01  0.294346D+02  0.226662D+01
      2  -0.846208D+01 -0.160163D+01 -0.198258D+01 -0.172147D+02 -0.136861D+01
      3  -0.613934D+01 -0.450364D+01 -0.162094D+01 -0.122199D+02 -0.898019D+00
      4   0.104161D+02  0.203388D+01  0.318234D+01  0.639599D+00  0.524735D+01
      5   0.540263D+01  0.312042D+01  0.580392D+01  0.201538D+02  0.346799D+01
      6   0.108221D+01  0.141659D+01  0.156656D+01 -0.120748D+01  0.163712D+01
               216           217           218           219           220 
      1   0.125113D+02 -0.531115D+01 -0.406150D+01  0.111152D+02 -0.966344D+00
      2  -0.106709D+02 -0.440893D+01  0.115141D+01  0.355766D+01 -0.365787D+00
      3  -0.184043D+01  0.972008D+01  0.291009D+01 -0.146729D+02  0.133213D+01
      4   0.256725D+01  0.948047D+01  0.218949D+01 -0.506681D+01  0.234101D+01
      5   0.154146D+02 -0.159513D+02 -0.160510D+00  0.995686D+01  0.438304D+00
      6  -0.120477D+01 -0.361466D+01 -0.681643D+01  0.873418D+01 -0.343382D+01
               221           222           223           224           225 
      1  -0.243708D+01  0.611490D+00  0.697591D+01  0.136389D+01 -0.888296D+01
      2   0.331441D+01 -0.237938D+01  0.222925D+01 -0.565162D+00 -0.752076D+01
      3  -0.877336D+00  0.176789D+01 -0.920516D+01 -0.798725D+00  0.164037D+02
      4   0.925422D-02 -0.106569D+01 -0.434511D+01 -0.139015D+01  0.380415D+01
      5  -0.234697D+01  0.240578D+01  0.101707D+02  0.150361D+01 -0.599553D+01
      6  -0.231826D+01  0.259355D+01  0.412508D+01  0.324556D+01 -0.548402D+01
               226           227           228           229           230 
      1   0.800630D+01  0.190382D+01  0.153960D+01  0.295859D+01 -0.413234D+00
      2  -0.169743D+02 -0.321386D+01 -0.175060D+02 -0.648965D+01 -0.541322D+00
      3   0.896800D+01  0.131004D+01  0.159664D+02  0.353106D+01  0.954556D+00
      4  -0.389195D+01  0.392238D+01 -0.453631D+01  0.244025D+01  0.114462D+00
      5   0.231541D+02  0.808141D+00  0.253269D+02  0.714294D+01  0.486731D+01
      6  -0.218916D+01  0.542416D+01 -0.377287D+01  0.381880D+01  0.152736D+01
               231           232           233           234           235 
      1  -0.158242D+01  0.123353D+01  0.393938D-01 -0.692789D+01 -0.219532D+00
      2  -0.809542D+01 -0.141919D+02 -0.231939D+01 -0.239839D+02  0.210670D+01
      3   0.967784D+01  0.129584D+02  0.228000D+01  0.309118D+02 -0.188717D+01
      4   0.218204D+01 -0.372363D+01  0.203257D+01 -0.282669D+01 -0.483619D+01
      5   0.828942D+01  0.203286D+02  0.151540D+01  0.264455D+02  0.251045D+01
      6   0.394736D+01 -0.225183D+01  0.471868D+01 -0.453058D+01 -0.338469D+01
               236           237           238           239           240 
      1  -0.772953D+00 -0.676010D-01 -0.269567D-01 -0.181622D+02  0.516718D+01
      2  -0.424476D+01 -0.149896D+01 -0.559756D+01  0.389564D+02 -0.199031D+01
      3   0.501771D+01  0.156656D+01  0.562452D+01 -0.207942D+02 -0.317686D+01
      4   0.937305D+01 -0.180694D+01  0.100011D+02 -0.197488D+02  0.314324D+01
      5  -0.355098D+01  0.475612D+01 -0.426578D+01  0.575904D+01 -0.307197D+01
      6   0.447136D+01 -0.127823D+01  0.542750D+01 -0.261981D+02  0.103357D+02
               241           242           243 
      1  -0.557944D+00  0.496610D+00 -0.123111D+01
      2  -0.172047D+01  0.390209D+01  0.187249D+01
      3   0.227842D+01 -0.439870D+01 -0.641378D+00
      4   0.101046D+01 -0.191465D+01 -0.133700D+01
      5   0.251674D+01 -0.627704D+00  0.100595D+01
      6  -0.408396D+00  0.398673D+01 -0.286491D+00
 Leave Link  716 at Fri Jul 16 13:59:18 2021, MaxMem=  5637144576 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.119983D+03  0.970600D+00 -0.339226D+00
      2   0.970600D+00  0.115067D+03  0.144844D+01
      3  -0.339226D+00  0.144844D+01  0.111361D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.670961D-02 -0.445686D+01  0.197015D+01
      2   0.207454D+01 -0.435638D+01  0.204495D+02
      3   0.507005D+01 -0.167581D+02  0.503419D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.242739D+02 -0.135783D+02  0.113578D+02
      2  -0.160515D+02  0.668640D+01 -0.875505D+01
      3  -0.822241D+01  0.689192D+01 -0.260272D+01
      4  -0.172161D+02  0.321651D+02 -0.173404D+02
      5   0.868982D+01 -0.174370D+02  0.423608D+02
      6  -0.106877D+02 -0.140351D+02 -0.435147D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.187875D+01  0.154475D+01  0.571575D+01  0.980230D+00  0.255916D+01
      2   0.154475D+01  0.295916D+01  0.342065D+00  0.255916D+01 -0.603389D+01
      3   0.571575D+01  0.342065D+00  0.302637D+01  0.259018D-01 -0.155739D+01
                 6             7             8             9            10 
      1   0.259018D-01  0.697631D+01  0.605781D+00  0.210965D+01 -0.461108D+01
      2  -0.155739D+01  0.605781D+00 -0.153517D+01  0.408283D+01 -0.209935D+01
      3   0.310734D+01  0.210965D+01  0.408283D+01 -0.980855D+00 -0.438045D+01
                11            12            13            14            15 
      1  -0.209935D+01 -0.438045D+01 -0.263674D+01  0.745606D+00  0.209129D+01
      2   0.883667D+00  0.214839D+01  0.745606D+00  0.631295D+00  0.295979D+01
      3   0.214839D+01 -0.699529D+00  0.209129D+01  0.295979D+01 -0.395422D+01
                16            17            18            19            20 
      1  -0.444358D+01  0.212168D+01 -0.211622D+01  0.230968D+01 -0.436449D+00
      2   0.212168D+01  0.221064D+01 -0.282084D+01 -0.436449D+00 -0.134807D+01
      3  -0.211622D+01 -0.282084D+01 -0.186427D+01  0.425267D+01 -0.268040D+01
                21            22            23            24            25 
      1   0.425267D+01  0.677792D+00 -0.228876D+00 -0.374204D+01  0.275870D+01
      2  -0.268040D+01 -0.228876D+00  0.548554D+00 -0.234414D+01 -0.236582D+01
      3  -0.696781D+00 -0.374204D+01 -0.234414D+01  0.242047D+01 -0.242614D+00
                26            27            28            29            30 
      1  -0.236582D+01 -0.242614D+00 -0.381333D+01 -0.243205D+01  0.238595D+01
      2  -0.323266D+01  0.154162D+01 -0.243205D+01  0.383850D+01  0.894968D+00
      3   0.154162D+01  0.252896D+01  0.238595D+01  0.894968D+00 -0.257475D+00
                31            32            33            34            35 
      1  -0.961518D+00  0.303673D+01  0.959931D+00  0.192955D+01  0.101371D+01
      2   0.303673D+01 -0.353196D+01  0.197276D+01  0.101371D+01  0.153710D+01
      3   0.959931D+00  0.197276D+01  0.180373D+01 -0.820377D-01  0.154843D+01
                36            37            38            39            40 
      1  -0.820377D-01  0.859941D+00 -0.122365D+01 -0.406689D+01  0.222448D+00
      2   0.154843D+01 -0.122365D+01 -0.318576D+01 -0.155644D+01 -0.436896D+01
      3  -0.266562D+01 -0.406689D+01 -0.155644D+01 -0.172364D+01 -0.176278D+01
                41            42            43            44            45 
      1  -0.436896D+01 -0.176278D+01 -0.327548D+01 -0.161580D+01 -0.182015D+01
      2   0.498211D+01 -0.153780D+01 -0.161580D+01 -0.140371D+00 -0.353764D+01
      3  -0.153780D+01 -0.256244D+01 -0.182015D+01 -0.353764D+01  0.189534D+01
                46            47            48            49            50 
      1   0.805196D+01  0.327130D+01  0.263092D+00  0.313521D+01 -0.110439D+01
      2   0.327130D+01 -0.363227D+01 -0.323868D+01 -0.110439D+01 -0.691526D+00
      3   0.263092D+00 -0.323868D+01 -0.205493D+01 -0.187617D+01 -0.923065D+00
                51            52            53            54            55 
      1  -0.187617D+01  0.359703D+00 -0.137570D+01  0.108876D+00 -0.136634D+01
      2  -0.923065D+00 -0.137570D+01 -0.512997D+00  0.479462D+00 -0.105857D+01
      3   0.227590D+00  0.108876D+00  0.479462D+00  0.189158D+01  0.131880D+01
                56            57            58            59            60 
      1  -0.105857D+01  0.131880D+01 -0.158539D+01  0.369431D+01  0.106822D+01
      2   0.475793D+01  0.141588D+01  0.369431D+01 -0.308167D+01  0.139462D+01
      3   0.141588D+01  0.144480D+01  0.106822D+01  0.139462D+01  0.197688D+01
                61            62            63            64            65 
      1   0.331269D+00 -0.475985D+00  0.111958D+01  0.163056D+01  0.213231D+01
      2  -0.475985D+00  0.178843D+01  0.675212D+00  0.213231D+01 -0.198508D+00
      3   0.111958D+01  0.675212D+00 -0.559564D+01  0.484029D+01 -0.122474D+01
                66            67            68            69            70 
      1   0.484029D+01  0.135217D+01 -0.775926D+00 -0.135042D+01  0.394797D+01
      2  -0.122474D+01 -0.775926D+00 -0.260501D+00 -0.298393D+01 -0.147104D+01
      3   0.100674D+01 -0.135042D+01 -0.298393D+01  0.244544D+01  0.901276D+00
                71            72            73            74            75 
      1  -0.147104D+01  0.901276D+00 -0.165052D+02 -0.312122D+01  0.113655D+01
      2  -0.304686D+01  0.313351D+01 -0.312122D+01 -0.100116D+01  0.105920D+01
      3   0.313351D+01  0.869777D+00  0.113655D+01  0.105920D+01 -0.917013D+00
                76            77            78            79            80 
      1  -0.352583D+01 -0.344385D+01  0.585468D+00  0.369293D+00  0.215500D+00
      2  -0.344385D+01 -0.202587D+01  0.658176D+00  0.215500D+00  0.132516D+00
      3   0.585468D+00  0.658176D+00 -0.338515D+00 -0.301742D+01 -0.868183D+00
                81            82            83            84            85 
      1  -0.301742D+01 -0.113140D+01 -0.178443D+01 -0.437912D+01 -0.234980D+01
      2  -0.868183D+00 -0.178443D+01 -0.141194D+01 -0.277649D+00 -0.232868D+01
      3  -0.579910D-01 -0.437912D+01 -0.277649D+00 -0.185094D+01 -0.413554D+00
                86            87            88            89            90 
      1  -0.232868D+01 -0.413554D+00 -0.535690D+01 -0.386923D+00 -0.240290D+01
      2   0.555495D+01  0.178319D+01 -0.386923D+00  0.169405D+01 -0.274139D+01
      3   0.178319D+01 -0.284910D+01 -0.240290D+01 -0.274139D+01  0.237046D+01
                91            92            93            94            95 
      1   0.184521D+01 -0.530327D+00 -0.492059D+01 -0.884125D+00 -0.183015D+01
      2  -0.530327D+00 -0.162262D+01 -0.601230D+00 -0.183015D+01  0.562249D+01
      3  -0.492059D+01 -0.601230D+00 -0.196137D+01 -0.895030D+00  0.114551D+01
                96            97            98            99           100 
      1  -0.895030D+00 -0.444338D+01 -0.842153D+00 -0.181634D+01  0.232315D+01
      2   0.114551D+01 -0.842153D+00  0.206138D+01 -0.285464D+01 -0.353281D+00
      3  -0.339069D+01 -0.181634D+01 -0.285464D+01 -0.399616D+00 -0.239121D+01
               101           102           103           104           105 
      1  -0.353281D+00 -0.239121D+01 -0.985370D+00  0.675750D+00  0.133005D+01
      2   0.113495D+01  0.672168D+00  0.675750D+00 -0.111594D+01 -0.990336D+00
      3   0.672168D+00  0.333883D+01  0.133005D+01 -0.990336D+00 -0.259719D+01
               106           107           108           109           110 
      1  -0.178456D+01  0.458483D+00  0.218518D+01 -0.447311D+01  0.103317D+01
      2   0.458483D+00 -0.793316D+00 -0.996066D+00  0.103317D+01 -0.134279D+01
      3   0.218518D+01 -0.996066D+00 -0.656205D+01 -0.352192D+01  0.132804D+01
               111           112           113           114           115 
      1  -0.352192D+01  0.815299D+00 -0.960314D+00  0.872208D+00 -0.198822D+01
      2   0.132804D+01 -0.960314D+00  0.987568D+00 -0.938071D+00  0.760196D+00
      3  -0.374424D+01  0.872208D+00 -0.938071D+00  0.824345D+00 -0.211240D+01
               116           117           118           119           120 
      1   0.760196D+00 -0.211240D+01 -0.992264D+00  0.206544D+01 -0.649518D+00
      2  -0.562917D+00  0.736651D+00  0.206544D+01 -0.386144D+01  0.744499D+00
      3   0.736651D+00 -0.389783D+01 -0.649518D+00  0.744499D+00 -0.849806D+00
               121           122           123           124           125 
      1   0.141740D+01 -0.190883D+01  0.250864D+00 -0.332992D+00  0.286527D-01
      2  -0.190883D+01  0.898234D+01 -0.178246D+01  0.286527D-01 -0.825263D+00
      3   0.250864D+00 -0.178246D+01  0.125048D+01 -0.415731D+00  0.109881D+01
               126           127           128           129           130 
      1  -0.415731D+00  0.655468D+01  0.280739D+01 -0.220491D+01  0.146277D+01
      2   0.109881D+01  0.280739D+01  0.244077D+01 -0.124360D+01  0.143959D+01
      3  -0.388628D+00 -0.220491D+01 -0.124360D+01  0.194898D+01 -0.693002D+00
               131           132           133           134           135 
      1   0.143959D+01 -0.693002D+00 -0.183505D+01 -0.897291D+00  0.155796D+01
      2   0.193984D+01 -0.868818D+00 -0.897291D+00 -0.102922D+01  0.731620D+00
      3  -0.868818D+00  0.379677D+00  0.155796D+01  0.731620D+00 -0.132055D+01
               136           137           138           139           140 
      1  -0.227888D+00  0.173598D+00  0.129231D+01 -0.311789D+00 -0.411925D+00
      2   0.173598D+00 -0.641175D+00 -0.411844D+00 -0.411925D+00  0.326354D+00
      3   0.129231D+01 -0.411844D+00 -0.136062D+01  0.159977D+00  0.845979D+00
               141           142           143           144           145 
      1   0.159977D+00  0.161738D+01 -0.199971D+00 -0.153018D+01 -0.281346D+01
      2   0.845979D+00 -0.199971D+00  0.138676D+01  0.107036D+01  0.275577D+01
      3  -0.917870D+00 -0.153018D+01  0.107036D+01  0.930071D+01  0.263372D+00
               146           147           148           149           150 
      1   0.275577D+01  0.263372D+00  0.280998D+01 -0.318053D+01 -0.503785D+00
      2  -0.367105D+01 -0.759542D+00 -0.318053D+01  0.745403D+01  0.511095D+00
      3  -0.759542D+00 -0.817741D+00 -0.503785D+00  0.511095D+00  0.973732D+00
               151           152           153           154           155 
      1  -0.792277D+00  0.590444D+00 -0.458178D+00  0.383431D+01  0.251395D+01
      2   0.590444D+00 -0.113660D+01  0.946328D+00  0.251395D+01  0.268606D+01
      3  -0.458178D+00  0.946328D+00  0.630965D+00  0.266138D+01  0.154264D+01
               156           157           158           159           160 
      1   0.266138D+01  0.148059D+01  0.224364D+01  0.965321D+00  0.243684D+01
      2   0.154264D+01  0.224364D+01  0.305533D+01  0.194118D+01  0.146094D+01
      3   0.237578D+01  0.965321D+00  0.194118D+01  0.186896D+01  0.232481D+01
               161           162           163           164           165 
      1   0.146094D+01  0.232481D+01 -0.496780D+01 -0.185799D+01 -0.337317D+01
      2   0.213452D+01  0.253188D+01 -0.185799D+01 -0.213163D+01 -0.126029D+01
      3   0.253188D+01  0.356285D+01 -0.337317D+01 -0.126029D+01 -0.314503D+01
               166           167           168           169           170 
      1  -0.516896D+00 -0.938359D+00 -0.167723D+00 -0.290482D+01 -0.806074D+00
      2  -0.938359D+00 -0.450221D+00 -0.421561D+00 -0.806074D+00 -0.890713D+00
      3  -0.167723D+00 -0.421561D+00 -0.344469D+00 -0.250098D+01 -0.157509D+01
               171           172           173           174           175 
      1  -0.250098D+01 -0.720442D+00 -0.117338D+01  0.291480D-01 -0.888755D+00
      2  -0.157509D+01 -0.117338D+01 -0.971153D+00  0.442276D+00 -0.851370D+00
      3  -0.344082D+01  0.291480D-01  0.442276D+00 -0.402395D+00  0.328601D+00
               176           177           178           179           180 
      1  -0.851370D+00  0.328601D+00  0.592747D+00  0.851775D+00 -0.321076D+00
      2  -0.562858D+01  0.209019D+01  0.851775D+00  0.422319D+01 -0.200835D+01
      3   0.209019D+01 -0.169733D+01 -0.321076D+00 -0.200835D+01  0.266887D+01
               181           182           183           184           185 
      1   0.297127D+01 -0.161414D+01 -0.216486D+01 -0.950301D+00  0.133471D+01
      2  -0.161414D+01  0.270322D+01  0.172227D+01  0.133471D+01 -0.196165D+01
      3  -0.216486D+01  0.172227D+01  0.237832D+01  0.851247D+00 -0.975935D+00
               186           187           188           189           190 
      1   0.851247D+00 -0.193924D+01  0.103854D+01  0.147409D+01  0.995919D+00
      2  -0.975935D+00  0.103854D+01 -0.164740D+01 -0.215650D+01  0.807021D+00
      3  -0.119796D+01  0.147409D+01 -0.215650D+01 -0.326357D+01 -0.977283D+00
               191           192           193           194           195 
      1   0.807021D+00 -0.977283D+00  0.163603D+01  0.430374D+00 -0.466014D+00
      2   0.278502D+00 -0.259810D+00  0.430374D+00  0.902764D+00 -0.137180D+01
      3  -0.259810D+00  0.126348D+01 -0.466014D+00 -0.137180D+01  0.184555D+01
               196           197           198           199           200 
      1  -0.206651D+01 -0.125409D+00  0.195895D+01  0.125844D+01 -0.123887D+01
      2  -0.125409D+00 -0.159293D+01  0.158497D+01 -0.123887D+01  0.114193D+01
      3   0.195895D+01  0.158497D+01 -0.499610D+01  0.292397D-01  0.245195D+00
               201           202           203           204           205 
      1   0.292397D-01 -0.286225D+01  0.289523D+01  0.580126D+00  0.843197D-01
      2   0.245195D+00  0.289523D+01 -0.735742D+01 -0.121263D+01  0.378597D+00
      3   0.338914D+00  0.580126D+00 -0.121263D+01 -0.104332D+01  0.754736D+00
               206           207           208           209           210 
      1   0.378597D+00  0.754736D+00  0.746782D+01  0.848671D+00  0.262597D+01
      2  -0.973627D+00 -0.845749D+00  0.848671D+00  0.967564D+00  0.239383D+00
      3  -0.845749D+00 -0.746638D+00  0.262597D+01  0.239383D+00  0.167762D+01
               211           212           213           214           215 
      1   0.245352D+01  0.146182D+01  0.707347D+00  0.519833D+01  0.340347D+00
      2   0.146182D+01  0.187981D+00  0.395342D+00  0.340347D+00  0.700978D+00
      3   0.707347D+00  0.395342D+00  0.893337D+00  0.258105D+01  0.601834D+00
               216           217           218           219           220 
      1   0.258105D+01 -0.449330D+01  0.163160D-01  0.223396D+01  0.182184D+00
      2   0.601834D+00  0.163160D-01 -0.126837D+01  0.946219D+00 -0.677620D+00
      3   0.215367D+01  0.223396D+01  0.946219D+00 -0.287700D+01  0.359483D+00
               221           222           223           224           225 
      1  -0.677620D+00  0.359483D+00  0.190471D+01  0.341431D+00 -0.156156D+01
      2  -0.526924D+00  0.312342D+00  0.341431D+00  0.329928D+00 -0.164887D+00
      3   0.312342D+00  0.262291D+00 -0.156156D+01 -0.164887D+00  0.277306D+01
               226           227           228           229           230 
      1   0.352038D+01  0.150735D+00  0.339676D+01  0.116076D+01  0.839090D+00
      2   0.150735D+00  0.107228D+01 -0.407100D-01  0.839090D+00  0.930840D-01
      3   0.339676D+01 -0.407100D-01  0.404537D+01  0.100026D+01  0.678121D+00
               231           232           233           234           235 
      1   0.100026D+01  0.256491D+01  0.119301D+00  0.306328D+01  0.613549D+00
      2   0.678121D+00  0.119301D+00  0.546708D+00  0.346427D+00 -0.119672D+01
      3   0.208768D+01  0.306328D+01  0.346427D+00  0.576822D+01  0.584667D+00
               236           237           238           239           240 
      1  -0.119672D+01  0.584667D+00 -0.132761D+01  0.165378D+01 -0.265776D+00
      2   0.142341D+01 -0.188267D+00  0.165378D+01 -0.860255D+01  0.121967D+01
      3  -0.188267D+00  0.513307D+00 -0.265776D+00  0.121967D+01 -0.147441D+01
               241           242           243 
      1   0.909586D-01  0.236790D+00  0.258345D+00
      2   0.236790D+00 -0.826151D+00 -0.540625D+00
      3   0.258345D+00 -0.540625D+00 -0.234269D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.151847D+01  0.118344D+01  0.185746D+01  0.248394D+01 -0.627354D+01
      2   0.977167D+01 -0.249387D+00  0.397366D+01  0.186071D+01 -0.448716D+01
      3   0.104773D+01 -0.718001D+01 -0.216853D+01  0.802390D+00  0.765782D+01
                 6             7             8             9            10 
      1  -0.371033D+01  0.452368D+01  0.402127D+01  0.181080D+01 -0.437762D+01
      2   0.295770D+01 -0.330586D+01  0.336387D+01 -0.279581D+01 -0.236069D+01
      3   0.285631D+01 -0.253592D+01  0.307004D+01 -0.361715D+01 -0.218876D+01
                11            12            13            14            15 
      1  -0.252040D+01  0.828311D+00  0.132754D+01  0.453314D+01 -0.119020D+02
      2  -0.343482D+01  0.158280D+01 -0.373296D+01 -0.289272D+00  0.163748D+01
      3  -0.300061D+01  0.423947D+01  0.751351D+01  0.275681D+00  0.123291D+01
                16            17            18            19            20 
      1  -0.589261D+01  0.172925D-02 -0.201209D+01  0.463956D+01  0.436913D+01
      2  -0.650302D+01  0.405772D+01 -0.568713D+01  0.503699D+01 -0.125412D+01
      3   0.385389D+01  0.273189D+01 -0.491645D-02 -0.509406D+00 -0.447089D+01
                21            22            23            24            25 
      1   0.438365D+01 -0.829403D+00  0.194980D+01  0.583712D+01  0.487923D+01
      2   0.115993D+02 -0.622273D+00 -0.768763D+00 -0.816157D+01  0.387386D+01
      3   0.402228D+00  0.491552D+00 -0.226667D+00 -0.155122D+01  0.902542D+00
                26            27            28            29            30 
      1   0.104699D+02 -0.115794D+01 -0.536591D+01 -0.670173D+01 -0.117895D+01
      2  -0.788933D+01  0.766270D+00 -0.209770D+01 -0.196377D+01  0.517152D+01
      3  -0.195608D+01  0.476238D+00 -0.880558D+01 -0.128666D+02  0.614168D+01
                31            32            33            34            35 
      1  -0.604254D+01 -0.244277D+01 -0.110568D+02 -0.322851D+00 -0.532104D+01
      2  -0.497698D+00  0.502625D+01  0.319326D+01  0.507696D+00  0.232180D+01
      3  -0.358363D+01  0.123812D+02  0.527997D+00  0.544228D+01  0.171661D+01
                36            37            38            39            40 
      1   0.660932D+01  0.398495D+01  0.780700D+00  0.537686D+00  0.308828D+00
      2  -0.436214D+01 -0.577083D+01 -0.100073D+01  0.449338D+01 -0.126856D+01
      3  -0.167372D+01  0.522581D+01 -0.276454D+01 -0.415544D+01  0.611383D+01
                41            42            43            44            45 
      1   0.565212D+01  0.112000D+01 -0.688335D+00  0.872336D+01 -0.785082D+01
      2   0.199511D+01 -0.129657D+01 -0.266782D+01 -0.909006D+00  0.316495D+01
      3  -0.997001D+01 -0.152595D+01 -0.335975D+01 -0.175619D+01 -0.242538D+00
                46            47            48            49            50 
      1   0.339856D+01  0.143144D+01  0.457015D+01  0.387613D+01 -0.130006D+02
      2  -0.324579D+01  0.752996D+01 -0.239505D+01  0.615366D+01 -0.290423D+01
      3   0.232658D+00  0.138040D+01 -0.715371D+01  0.578931D+01  0.207697D+01
                51            52            53            54            55 
      1  -0.138311D+01  0.152096D+01  0.100252D+02  0.134084D+02 -0.510602D+01
      2  -0.724015D+00 -0.105565D+02  0.101356D+01  0.524430D+01  0.258947D+01
      3  -0.264800D+01 -0.698029D+01 -0.274856D+01  0.363394D+00 -0.523217D+01
                56            57            58            59            60 
      1   0.628633D+01 -0.215376D+01  0.502056D+01 -0.578756D+01 -0.626092D+01
      2   0.838901D+00 -0.396991D+01  0.928791D+00 -0.692442D+01 -0.224793D+01
      3   0.374790D+01  0.531461D+01  0.668779D+01  0.144965D+01  0.128071D+01
                61            62            63            64            65 
      1  -0.758241D+00  0.516096D+01  0.121758D+02  0.688896D+01 -0.149875D+01
      2  -0.815162D+01  0.224478D+00  0.792392D+01 -0.208607D+01  0.485544D+01
      3   0.356399D+01 -0.226729D+00  0.290658D+01 -0.205170D+01 -0.954903D+01
                66            67            68            69            70 
      1   0.385028D+01 -0.274565D+01 -0.732293D+01  0.806549D+01  0.320421D+01
      2   0.795126D+01  0.269752D+01  0.202328D+01 -0.400102D+01  0.261561D+01
      3  -0.132385D+02 -0.190680D+01  0.178552D+01  0.734269D+00 -0.106927D+02
                71            72            73            74            75 
      1   0.156220D+02 -0.241090D+01 -0.314229D+00 -0.425090D+00 -0.483914D+01
      2  -0.567320D+01  0.721689D+00  0.313475D+01  0.335511D+00  0.134252D+02
      3  -0.328104D+00  0.835575D-01 -0.323180D+01 -0.143715D+02  0.248566D+00
                76            77            78            79            80 
      1  -0.274562D+01  0.249296D+01 -0.165580D+01  0.904387D+00 -0.120419D+01
      2  -0.155295D+01  0.269734D+01  0.345766D+01  0.447868D+01  0.602251D+00
      3  -0.327774D+01 -0.751594D+01  0.228569D+00  0.496936D+00  0.718188D+00
                81            82            83            84            85 
      1  -0.489939D+01 -0.248760D+01  0.526960D-01 -0.181929D+01 -0.127273D+00
      2  -0.158000D+01 -0.122151D+02 -0.625644D+00 -0.508296D+01 -0.198098D+01
      3  -0.266396D+01  0.569190D+01  0.404552D+01  0.319867D+01  0.126036D+02
                86            87            88            89            90 
      1   0.838189D+00 -0.470610D+01 -0.422768D+01 -0.512629D+00  0.319225D+01
      2   0.594781D+01 -0.832105D+01 -0.131561D+02 -0.736711D+01  0.890953D+01
      3  -0.155698D+02 -0.628047D+01  0.464665D+01 -0.589556D+01  0.100810D+02
                91            92            93            94            95 
      1  -0.888360D+01 -0.426637D+01 -0.359534D+01 -0.623784D+01  0.165997D+02
      2  -0.108250D+02 -0.548673D+00  0.133667D+02 -0.924998D-01  0.500710D+01
      3  -0.317495D+01 -0.803770D-01  0.911465D+01  0.455458D+01 -0.405823D+01
                96            97            98            99           100 
      1  -0.576902D+01 -0.395176D+01  0.289631D+01 -0.890985D+01  0.438418D+00
      2  -0.133535D+01  0.648585D+01 -0.185923D+01  0.309252D+01  0.674790D+01
      3   0.969658D-01  0.720894D+01 -0.159328D+01  0.509926D+01  0.109867D+01
               101           102           103           104           105 
      1  -0.470122D+01 -0.210245D+01 -0.442991D+00  0.398396D+01 -0.158515D+00
      2  -0.153452D+01 -0.330764D+01 -0.270502D+01  0.142203D+01  0.177322D+01
      3  -0.139241D+01 -0.927750D+00  0.661915D+00  0.328143D+00  0.251964D+00
               106           107           108           109           110 
      1  -0.157705D+01  0.505936D+01  0.318747D+01 -0.316286D+00  0.376584D+01
      2  -0.585150D+01  0.143513D+01  0.351325D+01 -0.109990D+02  0.154311D+01
      3  -0.325187D+00  0.138192D+01  0.688247D+00 -0.310608D+01 -0.179806D+01
               111           112           113           114           115 
      1  -0.314164D+00  0.117749D+01 -0.168078D+01 -0.266330D+00  0.206251D+00
      2  -0.436899D+01  0.232521D+01 -0.177236D+01  0.191380D+01 -0.531111D+01
      3  -0.168525D+01  0.143875D+01  0.140522D+00  0.567049D+00 -0.154747D+01
               116           117           118           119           120 
      1   0.172914D+01  0.460826D+00 -0.407535D+00  0.308740D+01  0.287347D+01
      2   0.156039D+01 -0.360744D+01 -0.202964D+01  0.236637D+01  0.131301D-01
      3  -0.487402D+00 -0.144758D+01 -0.499735D+01  0.642288D+01 -0.181876D+01
               121           122           123           124           125 
      1   0.196416D+01 -0.566509D+01 -0.430366D+01  0.978000D+00  0.538434D-02
      2   0.214428D+01 -0.352500D+01  0.454133D+00 -0.142965D+01  0.101454D+01
      3   0.761954D+01 -0.103665D+02  0.149079D+01 -0.970380D+00  0.735589D+00
               126           127           128           129           130 
      1  -0.695056D+00  0.288373D+01 -0.867990D+00 -0.463821D+01  0.189178D+00
      2  -0.227030D+00  0.640915D+01  0.146060D+01  0.165668D+01  0.894782D+00
      3  -0.191089D+01  0.150695D+02  0.141575D+01 -0.382719D+01  0.280170D+01
               131           132           133           134           135 
      1   0.566833D+00 -0.837742D+00 -0.281245D+01  0.129619D+01  0.183079D+01
      2   0.708905D+00  0.127644D+00 -0.207113D+01 -0.443200D+00 -0.154768D+00
      3   0.124868D+01 -0.108552D+01 -0.408986D+01 -0.803481D+00  0.315797D+01
               136           137           138           139           140 
      1  -0.141130D+01  0.348774D+00  0.257051D+01  0.326523D+00 -0.153327D+01
      2  -0.127403D+01  0.640404D+00  0.127110D+01  0.614891D+00 -0.199409D+00
      3   0.306862D+00 -0.205247D+01  0.856391D+00 -0.887314D-01 -0.135624D+01
               141           142           143           144           145 
      1   0.372018D+01  0.264172D+01  0.139371D+01 -0.177325D+02  0.345257D+01
      2   0.214778D+01 -0.290408D+01 -0.113136D+01 -0.102233D+02  0.341756D+01
      3   0.987043D+00  0.247746D+01  0.190606D+01 -0.263771D+01 -0.121686D+01
               146           147           148           149           150 
      1  -0.663548D+01  0.117497D+00 -0.421271D+01  0.114110D+02 -0.224604D+01
      2  -0.356513D+01  0.218954D+01 -0.387443D+01  0.556242D+01 -0.996226D+00
      3  -0.216066D+01 -0.845807D+00  0.370062D+01  0.459819D+01 -0.484093D+00
               151           152           153           154           155 
      1   0.125368D+01 -0.325160D+01  0.559745D+00 -0.204452D+01  0.127813D+01
      2   0.963554D+00 -0.183062D+01  0.592686D+00 -0.203212D+01 -0.643604D+00
      3  -0.121576D+01 -0.114486D+01  0.289997D+00  0.528759D+01 -0.396490D+00
               156           157           158           159           160 
      1  -0.347281D+01 -0.316538D+00 -0.135692D+00 -0.370811D+01 -0.196152D+01
      2   0.162230D+01 -0.145740D+01 -0.284986D+00  0.132515D+01 -0.194236D+01
      3   0.294780D+01  0.284228D+01  0.644119D+00  0.458852D+00  0.377367D+01
               161           162           163           164           165 
      1   0.232831D+00 -0.403195D+01 -0.432985D+01  0.138101D+01 -0.567283D+01
      2   0.109530D+01  0.214640D+01 -0.543828D+01 -0.949094D+00  0.255891D+00
      3  -0.716243D+00  0.143304D+01  0.110570D+02 -0.213633D+00  0.649829D+01
               166           167           168           169           170 
      1   0.165936D+00 -0.254326D+00 -0.131569D+01 -0.440819D+01 -0.229632D+00
      2  -0.519944D+00 -0.106244D+01 -0.253546D-01 -0.354756D+01 -0.803096D-01
      3   0.138967D+01  0.165481D+01  0.663657D+00  0.664549D+01  0.443927D+00
               171           172           173           174           175 
      1  -0.514174D+01  0.148252D+01  0.210222D+01 -0.115878D+01  0.194674D+01
      2  -0.115369D+00 -0.595416D+00 -0.173976D+01  0.112207D+01 -0.612306D+00
      3   0.478491D+01  0.844018D+00  0.876205D+00 -0.108202D+00  0.355619D+01
               176           177           178           179           180 
      1   0.113766D+02 -0.961760D+01 -0.947635D+00 -0.881462D+01  0.113468D+02
      2  -0.281708D+01  0.209604D+01 -0.397703D+00  0.265507D+01 -0.336407D+01
      3  -0.213314D+01  0.821997D+00 -0.238648D+01  0.153831D+01 -0.117919D+01
               181           182           183           184           185 
      1  -0.260135D+01 -0.158625D+01  0.374781D+01  0.231237D+00  0.422078D+00
      2   0.730568D+01 -0.290219D+01 -0.272419D+01 -0.212629D+01  0.215712D+01
      3  -0.995967D+01  0.319735D+01  0.561602D+01  0.424600D+01 -0.329116D+01
               186           187           188           189           190 
      1  -0.273400D+01  0.187281D+01 -0.403044D+00 -0.396502D+01 -0.103960D+01
      2   0.142171D+01 -0.510668D+01  0.251758D+01  0.302680D+01 -0.224438D+01
      3  -0.245018D+01  0.586744D+01 -0.223795D+01 -0.446424D+01 -0.240186D+01
               191           192           193           194           195 
      1  -0.529433D+00  0.612353D+00 -0.108702D-01 -0.231520D+01  0.133863D+01
      2  -0.256659D+00  0.341395D+01  0.518149D+00 -0.452543D+01  0.659608D+01
      3  -0.168827D+01  0.142205D+01 -0.183207D+00 -0.448324D+01  0.494134D+01
               196           197           198           199           200 
      1   0.835139D+00  0.441642D+01 -0.376105D+01  0.314594D+00 -0.524754D+00
      2   0.949166D+00  0.599621D+01 -0.157870D+02  0.185669D+00  0.246064D+00
      3   0.614314D+00  0.640875D+01 -0.637792D+01  0.284482D+01 -0.327109D+01
               201           202           203           204           205 
      1   0.467632D+00 -0.169000D-01  0.140232D+01 -0.329493D+01  0.338518D+00
      2   0.158489D+01  0.709319D+00 -0.341541D+01 -0.401297D+01  0.839957D+00
      3  -0.606761D+00 -0.239576D+01  0.204001D+02  0.326579D+01 -0.683763D+00
               206           207           208           209           210 
      1   0.657117D+00 -0.695005D+00  0.189461D+01  0.861199D+00  0.839694D+00
      2  -0.192775D+01 -0.220024D+01  0.812272D+01  0.139527D+01  0.816338D+01
      3   0.332852D+01  0.176982D+01 -0.677436D+01 -0.565059D+01 -0.265692D+01
               211           212           213           214           215 
      1   0.734509D+00  0.704214D+00 -0.287406D+00  0.209908D+01  0.162945D+01
      2   0.206762D+01  0.106844D+01  0.345331D+01  0.568593D+01  0.189571D+01
      3  -0.384636D+01 -0.190874D+01 -0.129236D+01 -0.392042D+01 -0.354417D+01
               216           217           218           219           220 
      1   0.839754D+00  0.442646D+01 -0.339887D+01 -0.225346D+01 -0.177745D+01
      2   0.756871D+01  0.153863D+02 -0.684585D+00 -0.505183D+01 -0.670839D+00
      3  -0.336173D+01  0.821953D+01 -0.179531D+01 -0.344292D+01  0.554149D+00
               221           222           223           224           225 
      1   0.103967D+00  0.546069D-01 -0.203261D+01  0.174776D+01  0.293560D+01
      2   0.215265D+01 -0.472555D+00 -0.745427D+01 -0.504886D+00  0.460041D+01
      3   0.129810D+01 -0.763514D+00 -0.330076D+01  0.200205D+00  0.229604D+01
               226           227           228           229           230 
      1   0.495205D+01  0.392388D+01  0.512550D+01  0.282559D+01  0.171206D+01
      2  -0.498644D+01 -0.918554D+00 -0.762280D+00 -0.204702D+01 -0.840159D+00
      3  -0.402585D+01 -0.312888D+01 -0.385324D+01 -0.133354D+01 -0.144452D+01
               231           232           233           234           235 
      1   0.291226D+01  0.430048D+01  0.399475D+01  0.802728D+01 -0.159003D+01
      2   0.630508D+00 -0.547795D+01  0.368846D-01 -0.785619D-01 -0.775584D-01
      3  -0.170679D+01 -0.359748D+01 -0.181253D+01 -0.425621D+01  0.262888D+00
               236           237           238           239           240 
      1   0.280415D+01  0.817204D+00  0.309747D+01 -0.180624D+02 -0.351635D+01
      2   0.178481D+01  0.488283D+00  0.284624D+01 -0.195234D+01 -0.159088D+01
      3  -0.789774D+00 -0.236714D+00  0.323884D+01  0.687330D+01 -0.789848D+00
               241           242           243 
      1   0.510208D+00 -0.181085D+01 -0.239620D+01
      2  -0.555853D+00 -0.663050D+00 -0.916826D+00
      3   0.112635D+00  0.107113D+01  0.407683D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.945030D+01  0.359918D+01  0.132800D+02  0.454419D+01  0.758702D+01
      2  -0.963085D+00 -0.240373D+01 -0.880472D+01 -0.375905D+01 -0.162399D+01
      3   0.104134D+02 -0.119545D+01 -0.447527D+01 -0.785136D+00 -0.596303D+01
      4  -0.231444D+00  0.416827D+01 -0.498985D+01  0.571507D+01 -0.118111D+02
      5   0.118556D+02 -0.108830D+01  0.763004D+01  0.519619D+00  0.482060D+00
      6  -0.751728D+01  0.226956D+01 -0.159194D+01  0.287149D+01 -0.502039D+01
                 6             7             8             9            10 
      1  -0.411922D+01  0.172531D+02 -0.256240D+01  0.910890D+01  0.800640D+00
      2  -0.334376D+01 -0.941076D+01 -0.170241D+01 -0.466981D+01 -0.485593D+00
      3   0.746298D+01 -0.784234D+01  0.426480D+01 -0.443909D+01 -0.315047D+00
      4  -0.460252D+00 -0.440520D+01 -0.149018D+00  0.182137D+01  0.600215D+01
      5   0.564777D+01  0.903895D+01  0.500001D+01 -0.158605D+01 -0.193821D+01
      6  -0.353116D+01 -0.159314D+01 -0.403750D+01  0.260779D+01  0.688966D+01
                11            12            13            14            15 
      1   0.493425D+01  0.101735D+01  0.730549D+01 -0.803254D+00 -0.126331D+02
      2  -0.193636D+01  0.388225D+01  0.458877D-01  0.734691D+01 -0.311575D+01
      3  -0.299788D+01 -0.489960D+01 -0.735137D+01 -0.654365D+01  0.157488D+02
      4   0.278567D+01  0.313143D+01  0.400645D+00  0.164693D+01 -0.125247D+01
      5  -0.186194D+01  0.339586D+01 -0.229174D+01 -0.196290D+01 -0.360155D+01
      6  -0.133253D+01  0.773303D+00 -0.546928D+00  0.323199D+01 -0.344686D+01
                16            17            18            19            20 
      1  -0.137857D+02 -0.678182D+01 -0.224659D+01  0.653510D+01 -0.286886D+01
      2   0.538385D+01 -0.303620D+01  0.620978D+00  0.114130D+02 -0.103093D+02
      3   0.840181D+01  0.981802D+01  0.162561D+01 -0.179481D+02  0.131782D+02
      4   0.608622D+01 -0.390118D+01  0.247836D+01  0.406371D+01 -0.278403D+01
      5   0.180037D+01 -0.160745D+00  0.441776D-01 -0.917468D+01  0.312713D+01
      6   0.234834D+00  0.574389D+00  0.103090D+02  0.431152D+01 -0.944869D+00
                21            22            23            24            25 
      1  -0.839216D+01 -0.106235D+02 -0.600115D+01  0.134368D+02 -0.160092D+01
      2  -0.452441D+01 -0.684766D+01 -0.559494D+01  0.122521D+01 -0.564869D+01
      3   0.129166D+02  0.174712D+02  0.115961D+02 -0.146620D+02  0.724961D+01
      4   0.316142D+01 -0.215285D+01 -0.288859D+01 -0.186335D+01  0.136086D+01
      5  -0.200648D+02  0.513232D+01  0.248468D+01  0.108075D+02 -0.135903D+02
      6   0.986871D+01 -0.268983D+01 -0.439325D+01  0.655906D+01  0.722966D+01
                26            27            28            29            30 
      1   0.633594D+01  0.337071D+01 -0.491522D+01 -0.150520D+02  0.577276D+01
      2   0.842187D+00  0.114943D+02 -0.603299D+01  0.237520D+02  0.753959D+00
      3  -0.717813D+01 -0.148650D+02  0.109482D+02 -0.869995D+01 -0.652672D+01
      4  -0.170330D+01  0.358263D+01 -0.175365D+02 -0.115851D+02  0.117694D+02
      5   0.755479D+01  0.289906D+01  0.114010D+02  0.754226D+01 -0.292231D+01
      6   0.451032D+01 -0.441169D+01  0.144671D+02 -0.107247D+01 -0.489374D+01
                31            32            33            34            35 
      1  -0.962515D+01  0.151940D+02 -0.275319D+00  0.474888D+01  0.129242D+01
      2   0.164921D+02 -0.222226D+02  0.858336D+01  0.622411D+00  0.717812D+01
      3  -0.686690D+01  0.702859D+01 -0.830804D+01 -0.537129D+01 -0.847053D+01
      4  -0.364303D+01  0.117778D+02  0.164160D+01  0.999027D+01  0.332628D+01
      5   0.293551D+01 -0.335361D+01  0.202953D+00 -0.395860D+01  0.520403D+00
      6  -0.150900D+01  0.890229D+01  0.129049D+01 -0.307617D+01  0.286462D+01
                36            37            38            39            40 
      1  -0.754838D+01  0.869008D+00  0.393824D+01 -0.311346D+00  0.270395D+01
      2   0.579560D+01  0.143166D+01 -0.886508D+01 -0.320403D+01 -0.559045D+01
      3   0.175278D+01 -0.230067D+01  0.492685D+01  0.351537D+01  0.288649D+01
      4   0.263739D+01  0.746137D+00 -0.710585D+01 -0.109698D+02 -0.646946D+01
      5  -0.137552D+01 -0.534568D+01 -0.821977D+01 -0.918348D+01 -0.439902D+01
      6  -0.937509D+01 -0.122267D+02 -0.107985D+02 -0.359029D+01 -0.774296D+01
                41            42            43            44            45 
      1  -0.817848D+01 -0.745331D-01 -0.288766D+01 -0.971535D+00  0.252001D+01
      2   0.112645D+02 -0.766098D+00  0.317416D+00 -0.925221D+00 -0.792406D+01
      3  -0.308601D+01  0.840631D+00  0.257025D+01  0.189676D+01  0.540405D+01
      4  -0.268031D+01 -0.495412D+01 -0.874576D+01 -0.504920D+01 -0.111182D+02
      5  -0.528694D+01 -0.682239D+01 -0.744124D+01 -0.898248D+01 -0.545592D+01
      6   0.621178D+00 -0.813734D+01 -0.614454D+01 -0.111251D+02  0.206061D+01
                46            47            48            49            50 
      1  -0.536304D+02 -0.712524D+01  0.335102D+01 -0.188914D+02  0.778350D+00
      2   0.253454D+02 -0.138058D+01 -0.326549D+01  0.864814D+01 -0.336308D+01
      3   0.282850D+02  0.850583D+01 -0.855316D-01  0.102433D+02  0.258473D+01
      4  -0.137951D+02 -0.815827D+01  0.260262D+01  0.344492D+00 -0.436333D+01
      5   0.573116D+01  0.479946D+01 -0.756424D+01  0.321132D+01  0.413028D+00
      6   0.691405D+00  0.983133D+00 -0.552145D+01  0.309708D+01 -0.464349D+01
                51            52            53            54            55 
      1   0.122165D+02  0.828249D+00  0.977098D+01 -0.528383D+00  0.258705D+01
      2  -0.820229D+00  0.165631D+01 -0.506596D+01 -0.216911D+01 -0.696943D+01
      3  -0.113963D+02 -0.248456D+01 -0.470502D+01  0.269749D+01  0.438238D+01
      4   0.181699D+01 -0.739369D+00  0.345590D+01 -0.284477D+01  0.239472D+01
      5  -0.437115D+01  0.460276D+01 -0.104987D+01 -0.564287D+00 -0.183767D+01
      6  -0.227182D+01 -0.524857D+00  0.654633D+00 -0.616252D+01  0.386781D+01
                56            57            58            59            60 
      1  -0.750864D+01 -0.683514D+01  0.162611D+01 -0.182864D+01 -0.859056D+01
      2   0.168131D+02  0.192295D+01  0.936876D+01 -0.121027D+02 -0.170987D+00
      3  -0.930441D+01  0.491218D+01 -0.109949D+02  0.139313D+02  0.876155D+01
      4  -0.131417D+02  0.315024D+00 -0.861254D+01  0.178343D+02 -0.134797D+01
      5  -0.163221D+01  0.455589D-01 -0.359029D+00  0.310074D+01 -0.516889D+00
      6   0.962933D+01  0.353646D+01  0.378084D+01  0.959879D+00  0.871808D+01
                61            62            63            64            65 
      1   0.231556D+01 -0.269913D+01  0.105540D+02  0.557262D+01 -0.555226D+01
      2  -0.555328D+01  0.774890D+01  0.157412D+02  0.394702D+01  0.253804D+01
      3   0.323772D+01 -0.504978D+01 -0.262952D+02 -0.951964D+01  0.301422D+01
      4   0.318786D+01 -0.369064D+01  0.606307D+01 -0.575927D+01 -0.972300D+01
      5   0.612100D+00  0.784802D+00  0.135414D+02 -0.920938D+01 -0.848643D+01
      6   0.132002D+01  0.543160D+01 -0.902294D+01 -0.212129D+02  0.749517D+01
                66            67            68            69            70 
      1  -0.953394D+01 -0.521381D+01 -0.132794D+01 -0.239782D+01 -0.784964D+01
      2   0.113420D+02  0.128432D+01 -0.484715D+01  0.172090D+02  0.104345D+02
      3  -0.180808D+01  0.392949D+01  0.617509D+01 -0.148112D+02 -0.258482D+01
      4  -0.190997D+02 -0.611568D+01  0.162819D+01  0.874023D+01 -0.163878D+02
      5  -0.180700D+02 -0.407015D+01  0.707423D+01  0.494389D+00 -0.150646D+02
      6  -0.743843D+00  0.729416D+01  0.137508D+02 -0.624064D+01 -0.496959D+00
                71            72            73            74            75 
      1  -0.572139D+01  0.371192D+01  0.106833D+03  0.136378D+02 -0.429590D+01
      2   0.213563D+02 -0.784230D+01 -0.517687D+02 -0.379604D+01  0.294320D+01
      3  -0.156349D+02  0.413038D+01 -0.550647D+02 -0.984177D+01  0.135270D+01
      4   0.978187D+01 -0.463364D+01  0.182964D+02  0.208537D+02 -0.213644D+01
      5  -0.987118D+00 -0.146588D+01 -0.902517D+01 -0.291495D+01  0.187388D+02
      6  -0.106169D+02 -0.678967D+01 -0.516626D+01 -0.282258D+01  0.348044D+01
                76            77            78            79            80 
      1   0.168251D+02  0.139223D+02 -0.314953D+01  0.189009D+01 -0.210736D+01
      2  -0.699078D+01 -0.172004D+01  0.160997D+01  0.178320D+01  0.874047D+00
      3  -0.983437D+01 -0.122022D+02  0.153955D+01 -0.367329D+01  0.123331D+01
      4   0.248078D+02  0.129622D+02 -0.285446D+01 -0.314596D+01 -0.181166D+01
      5  -0.496067D+01 -0.346436D+01  0.512719D+01  0.210707D+02  0.484953D+01
      6  -0.354907D+01 -0.235586D+01  0.495993D+01  0.259030D+01  0.417399D+01
                81            82            83            84            85 
      1   0.108134D+02 -0.443185D+01 -0.116855D+02 -0.247373D+02 -0.172403D+02
      2  -0.990258D+01  0.480272D+01  0.862429D+01  0.130994D+02  0.147172D+02
      3  -0.910869D+00 -0.370872D+00  0.306121D+01  0.116379D+02  0.252310D+01
      4   0.415823D+01 -0.104274D+02 -0.584492D+01  0.124625D+01 -0.107089D+02
      5  -0.447811D+01 -0.252288D+02 -0.958680D+00 -0.107147D+02 -0.408062D+01
      6  -0.961455D+00  0.433773D+01  0.892379D+00  0.920409D+00  0.171244D+01
                86            87            88            89            90 
      1  -0.127669D+01 -0.611845D+00 -0.309386D+02 -0.620107D+00 -0.139329D+02
      2  -0.981281D+01 -0.269896D+01  0.158648D+02 -0.294795D+01  0.112239D+02
      3   0.110895D+02  0.331080D+01  0.150737D+02  0.356805D+01  0.270901D+01
      4   0.271120D+02  0.722610D+01 -0.952851D+00  0.697816D+01 -0.990250D+01
      5   0.743307D+01 -0.127160D+02 -0.157493D+02 -0.116994D+02  0.936625D+01
      6  -0.567457D+01  0.126292D+01  0.829901D+00  0.152513D+01 -0.859257D+00
                91            92            93            94            95 
      1   0.109234D+02 -0.241596D+01 -0.844405D+01 -0.380132D+01  0.388332D+01
      2   0.113678D+02  0.843950D+01  0.138339D+02  0.113630D+02 -0.243663D+02
      3  -0.222911D+02 -0.602354D+01 -0.538981D+01 -0.756166D+01  0.204829D+02
      4  -0.578996D+01 -0.200716D+01  0.677588D+01 -0.274339D+01  0.148568D+02
      5  -0.350027D+01 -0.226626D+01 -0.231308D+02 -0.505492D+01 -0.311277D+01
      6   0.517508D+01 -0.266993D+01 -0.312698D+01 -0.422515D+01  0.122845D+02
                96            97            98            99           100 
      1   0.545870D+01 -0.810316D+01  0.680820D+01 -0.955688D+01 -0.178325D+01
      2   0.796915D+01  0.135532D+02  0.583186D+00  0.142160D+02 -0.939765D+01
      3  -0.134278D+02 -0.544999D+01 -0.739138D+01 -0.465915D+01  0.111809D+02
      4   0.163190D+01  0.578497D+01  0.401382D+01 -0.259209D+01 -0.114549D+01
      5  -0.100103D+02 -0.209870D+02 -0.695719D+01 -0.979474D+01 -0.105318D+02
      6   0.822298D+01 -0.140085D+01  0.977519D+01 -0.992507D+01 -0.121067D+00
               101           102           103           104           105 
      1  -0.231616D+00  0.724596D+01  0.273809D+01 -0.291653D+01 -0.803790D+01
      2   0.385853D+01  0.116248D+02  0.344614D+01 -0.176300D+01 -0.661573D+01
      3  -0.362691D+01 -0.188707D+02 -0.618423D+01  0.467953D+01  0.146536D+02
      4   0.212666D+01 -0.211027D+00  0.170675D+01 -0.106333D+01 -0.130339D+01
      5   0.215422D+01  0.152051D+02  0.276142D+01 -0.385013D+01 -0.467028D+01
      6  -0.438257D+01 -0.938525D+00 -0.259760D+01  0.519174D+01  0.621285D+01
               106           107           108           109           110 
      1   0.456001D+01 -0.238849D+01 -0.176939D+02  0.341523D+01  0.191045D+01
      2   0.780473D+01 -0.351522D+01 -0.222680D+02 -0.120500D+02  0.123076D+01
      3  -0.123647D+02  0.590371D+01  0.399619D+02  0.863482D+01 -0.314121D+01
      4  -0.252814D+00 -0.124983D+01 -0.112596D+01 -0.921554D+01  0.553554D+01
      5   0.114935D+02 -0.327117D+01 -0.143532D+02  0.224263D+02 -0.523809D+01
      6  -0.961484D+00  0.539981D+01  0.119269D+01 -0.756219D+01  0.733237D+01
               111           112           113           114           115 
      1  -0.259024D+01  0.146180D+01 -0.167315D+01  0.215508D+01 -0.204691D+01
      2  -0.104050D+02  0.102807D+01  0.138578D+01  0.788218D-01 -0.636487D+01
      3   0.129952D+02 -0.248987D+01  0.287377D+00 -0.223390D+01  0.841177D+01
      4  -0.704347D+01  0.577376D+01 -0.270948D+01  0.371285D+01 -0.413674D+01
      5   0.203022D+02 -0.442617D+01  0.441744D+01 -0.472634D+01  0.132159D+02
      6  -0.927236D+01  0.560635D+01 -0.562854D+01  0.735780D+01 -0.597459D+01
               116           117           118           119           120 
      1   0.167677D+01 -0.709187D+01 -0.305699D+01  0.118165D+02 -0.374919D+01
      2   0.365809D+00 -0.120302D+02  0.894629D+01 -0.212128D+02  0.275068D+01
      3  -0.204258D+01  0.191221D+02 -0.588930D+01  0.939630D+01  0.998512D+00
      4   0.203697D+01 -0.511732D+01 -0.566009D+01  0.117931D+02 -0.314024D+01
      5  -0.415143D+01  0.139225D+02  0.127542D+01 -0.385019D+01  0.227934D+01
      6   0.495684D+01 -0.808700D+01 -0.540490D+01  0.857308D+01 -0.502426D+01
               121           122           123           124           125 
      1   0.683536D+01 -0.308470D+02  0.630378D+01 -0.136730D+01  0.374044D+01
      2  -0.113321D+02  0.557232D+02 -0.836122D+01  0.998835D-01 -0.314599D+01
      3   0.449674D+01 -0.248762D+02  0.205744D+01  0.126741D+01 -0.594446D+00
      4   0.874526D+01 -0.779538D+01  0.620830D+00 -0.164306D+01  0.394270D+00
      5  -0.296506D+01  0.246014D+01 -0.628747D+00  0.198460D+01 -0.685626D+00
      6   0.353873D+01 -0.206731D+02  0.107628D+02 -0.250394D+01  0.104043D+02
               126           127           128           129           130 
      1  -0.506444D+01  0.178678D+02  0.291315D+01 -0.192467D+01  0.132195D+01
      2   0.511179D+01 -0.278496D+01  0.501603D+01  0.614638D+00  0.331827D+01
      3  -0.473479D-01 -0.150829D+02 -0.792918D+01  0.131004D+01 -0.464021D+01
      4  -0.228360D+01  0.303361D+02  0.193217D+02 -0.110555D+02  0.120076D+02
      5   0.106423D+01 -0.183677D+02 -0.877429D+01  0.102146D+02 -0.420619D+01
      6  -0.351878D+01 -0.136774D+02 -0.965157D+01  0.105068D+02 -0.546600D+01
               131           132           133           134           135 
      1  -0.113606D+01  0.751691D+00 -0.194451D+01  0.907650D+00  0.891432D+00
      2   0.824102D+01 -0.316293D+01  0.192465D+01 -0.234676D+01 -0.305469D+01
      3  -0.710496D+01  0.241124D+01  0.198645D-01  0.143911D+01  0.216326D+01
      4   0.927808D+01 -0.455042D+01 -0.854573D+01 -0.544983D+01  0.713839D+01
      5  -0.432017D+01  0.260725D+01  0.102914D+02  0.465373D+01 -0.711652D+01
      6  -0.747824D+01  0.447148D+01  0.833505D+01  0.672905D+01 -0.699965D+01
               136           137           138           139           140 
      1  -0.105963D+01  0.111524D+01 -0.149173D+00  0.187219D+01 -0.314644D+01
      2  -0.398682D+01 -0.121483D+01  0.439051D+01 -0.280892D+01  0.829841D+00
      3   0.504645D+01  0.995964D-01 -0.424134D+01  0.936728D+00  0.231660D+01
      4  -0.131516D+01  0.417825D+01  0.374663D+01  0.131781D+01 -0.243191D+01
      5  -0.502008D+01  0.147341D+01  0.104933D+02 -0.197310D+01 -0.216853D+01
      6   0.222730D+01 -0.226993D+01 -0.272940D+01 -0.127103D+01  0.193611D+01
               141           142           143           144           145 
      1   0.300797D-02 -0.813402D+00 -0.524726D+01 -0.238396D+02  0.567180D+01
      2   0.578378D+01  0.528959D+01  0.571773D+00 -0.225223D+02  0.578565D+01
      3  -0.578679D+01 -0.447618D+01  0.467548D+01  0.463619D+02 -0.114574D+02
      4  -0.135204D+01  0.375683D+01 -0.293195D+01 -0.698510D+01 -0.169278D+02
      5   0.319367D+01  0.918257D+01 -0.325152D+01 -0.209344D+02 -0.410602D+01
      6   0.474273D+01 -0.411842D+01  0.854218D+01  0.211378D+02  0.391489D+01
               146           147           148           149           150 
      1   0.145228D+00  0.153716D+01  0.191478D+00 -0.126754D+02 -0.174413D+01
      2  -0.112601D+02 -0.138324D+01 -0.109684D+02  0.348776D+02  0.163134D+01
      3   0.111148D+02 -0.153927D+00  0.107769D+02 -0.222022D+02  0.112794D+00
      4   0.214925D+02  0.336256D+01  0.177446D+02 -0.288681D+02 -0.294083D+01
      5   0.581497D+01  0.392817D+01  0.435347D+01 -0.450423D+01 -0.313727D+01
      6  -0.684020D+01 -0.409453D+01 -0.594012D+01  0.122293D+02  0.641350D+01
               151           152           153           154           155 
      1   0.237105D+01 -0.360225D+00 -0.353723D+01  0.555443D+01 -0.425262D+00
      2   0.976345D+00 -0.547902D+01  0.166658D+01 -0.421810D+00  0.538198D+01
      3  -0.334740D+01  0.583924D+01  0.187065D+01 -0.513262D+01 -0.495672D+01
      4  -0.354311D+01  0.426974D+01 -0.416731D+01  0.162044D+02  0.151689D+02
      5   0.150544D+01 -0.267026D+01 -0.146373D+01  0.140351D+02  0.871363D+01
      6  -0.236104D+01  0.482649D+01  0.224766D+01  0.111594D+02  0.956877D+01
               156           157           158           159           160 
      1   0.117248D+01 -0.173834D+01 -0.541374D+01 -0.363991D+01  0.477892D+00
      2  -0.107893D+01  0.565275D+01  0.112702D+02  0.469587D+01 -0.148318D+01
      3  -0.935451D-01 -0.391441D+01 -0.585642D+01 -0.105596D+01  0.100528D+01
      4   0.109279D+02  0.120991D+02  0.130322D+02  0.792017D+01  0.961681D+01
      5   0.121270D+02  0.583385D+01  0.769681D+01  0.573054D+01  0.118122D+02
      6   0.960369D+01  0.785254D+01  0.119769D+02  0.122319D+02  0.959489D+01
               161           162           163           164           165 
      1  -0.427955D+01 -0.546641D+01  0.902407D+01 -0.171051D+01  0.166106D+01
      2   0.341408D+01 -0.172584D+00 -0.920415D+01  0.477643D+01 -0.775297D+01
      3   0.865473D+00  0.563900D+01  0.180077D+00 -0.306593D+01  0.609190D+01
      4   0.884722D+01  0.107349D+02  0.208195D+02  0.126229D+02  0.145278D+02
      5   0.809887D+01  0.132891D+02  0.214799D+02  0.801310D+01  0.184872D+02
      6   0.143572D+02  0.161804D+02  0.145047D+02  0.901746D+01  0.132482D+02
               166           167           168           169           170 
      1  -0.950038D+00 -0.585947D+00 -0.108776D+01  0.188870D+01 -0.235878D+01
      2   0.348686D+01  0.225025D+01  0.166596D+01 -0.747710D+01 -0.135471D+00
      3  -0.253682D+01 -0.166430D+01 -0.578196D+00  0.558840D+01  0.249425D+01
      4   0.639013D+01  0.508311D+01  0.309835D+01  0.121918D+02  0.496113D+01
      5   0.193595D+01  0.357687D+01  0.114024D+01  0.157244D+02  0.499596D+01
      6   0.395464D+01  0.290257D+01  0.530124D+01  0.101192D+02  0.102172D+02
               171           172           173           174           175 
      1  -0.395711D+01 -0.660922D+00  0.926108D-01  0.549165D+00 -0.544371D+00
      2  -0.636756D+01  0.337860D+01  0.440049D+01 -0.276008D+01  0.482045D+01
      3   0.103247D+02 -0.271768D+01 -0.449310D+01  0.221091D+01 -0.427608D+01
      4   0.101172D+02  0.452578D+01  0.897392D+01 -0.131351D+01  0.751635D+01
      5   0.151445D+02  0.489908D+00  0.489851D+00  0.372994D+01  0.421829D+00
      6   0.145545D+02  0.415282D+00 -0.157696D+01  0.159192D+01 -0.147932D+01
               176           177           178           179           180 
      1  -0.142408D+02  0.432900D+01  0.466741D+00  0.916495D+01 -0.376007D+01
      2   0.356752D+02 -0.135615D+02 -0.391906D+01 -0.233757D+02  0.100748D+02
      3  -0.214344D+02  0.923248D+01  0.345232D+01  0.142108D+02 -0.631470D+01
      4   0.967849D+01 -0.407410D+01 -0.431795D+01 -0.787991D+01  0.363195D+01
      5  -0.243320D+01  0.164706D+01  0.240481D+01  0.235224D+01 -0.275582D+01
      6  -0.637832D+01  0.924029D+01  0.119787D+01  0.860092D+01 -0.121868D+02
               181           182           183           184           185 
      1  -0.308762D+01  0.953757D+01  0.908844D+01  0.474028D+01 -0.859144D+01
      2   0.414266D+00 -0.103263D+02 -0.230817D+01 -0.535813D+01  0.106184D+02
      3   0.267335D+01  0.788779D+00 -0.678027D+01  0.617844D+00 -0.202700D+01
      4  -0.138426D+02  0.896149D+01  0.999125D+01  0.633909D+01 -0.690902D+01
      5  -0.958756D+01  0.572142D+01  0.893943D+01  0.292688D+01 -0.465469D+01
      6   0.115195D+02 -0.132158D+02 -0.134984D+02 -0.703917D+01  0.966653D+01
               186           187           188           189           190 
      1  -0.600410D+01  0.598975D+01 -0.864087D+01 -0.120248D+02  0.647544D+01
      2   0.386658D+01 -0.141282D+01  0.401023D+01  0.104422D+01 -0.557491D+01
      3   0.213753D+01 -0.457693D+01  0.463065D+01  0.109805D+02 -0.900523D+00
      4  -0.517845D+01  0.893806D+01 -0.548605D+01 -0.620390D+01  0.351613D+01
      5  -0.256951D+01  0.821085D+01 -0.306919D+01 -0.594206D+01 -0.563707D+01
      6   0.104492D+02 -0.818455D+01  0.147413D+02  0.176731D+02 -0.919824D+00
               191           192           193           194           195 
      1   0.418484D+01 -0.413061D+01  0.926725D+01 -0.805614D-01 -0.144253D+01
      2  -0.282859D+01  0.450576D+01 -0.602273D+01  0.754211D+00  0.293166D+01
      3  -0.135625D+01 -0.375148D+00 -0.324452D+01 -0.673650D+00 -0.148913D+01
      4   0.276500D+01 -0.203902D+01  0.356030D+01  0.345734D+01 -0.609899D+01
      5  -0.294339D+01  0.105571D+02 -0.400513D+01 -0.603098D+01  0.933811D+01
      6  -0.522758D+00 -0.822110D-01 -0.427301D+00 -0.160559D+01  0.213663D+01
               196           197           198           199           200 
      1  -0.976989D+01  0.704895D-01  0.477539D+01  0.634809D+01 -0.523280D+01
      2   0.771122D+01  0.251473D+01 -0.124174D+02 -0.160766D+00  0.126968D+00
      3   0.205867D+01 -0.258522D+01  0.764200D+01 -0.618732D+01  0.510583D+01
      4  -0.622052D+00 -0.763675D+01  0.650007D+01 -0.782217D+01  0.115295D+02
      5   0.149536D+02  0.754353D+01 -0.255037D+02  0.324006D+00  0.257518D+01
      6  -0.110711D+01  0.297692D+01  0.846016D+00  0.140402D+01 -0.124674D+01
               201           202           203           204           205 
      1   0.842097D+00 -0.100188D+02 -0.244576D+01  0.388257D+00  0.145768D+01
      2  -0.713726D+00 -0.178444D+01  0.204741D+02  0.174539D+01 -0.102832D+01
      3  -0.128371D+00  0.118032D+02 -0.180283D+02 -0.213365D+01 -0.429367D+00
      4   0.227209D+01  0.207618D+02 -0.382651D+02 -0.595933D+01  0.294347D+01
      5   0.316889D+01  0.404152D+01 -0.539637D+01 -0.559334D+01  0.570021D+01
      6  -0.850088D+00 -0.245869D+01  0.721847D+01  0.621221D+01 -0.229084D+01
               206           207           208           209           210 
      1  -0.161058D+00  0.792421D+00  0.510999D+02  0.620842D+01  0.165367D+02
      2   0.160204D+01  0.413466D+00 -0.277436D+02 -0.376423D+01 -0.978987D+01
      3  -0.144098D+01 -0.120589D+01 -0.233563D+02 -0.244419D+01 -0.674686D+01
      4  -0.510118D+01 -0.409683D+01  0.278177D+01  0.765480D+01  0.102688D+01
      5  -0.430655D+01 -0.369108D+01  0.194393D+02  0.216165D+01  0.137292D+02
      6   0.599628D+01  0.244469D+01 -0.188842D+01  0.507017D+00 -0.125501D+01
               211           212           213           214           215 
      1   0.146014D+02  0.610527D+01  0.360352D+01  0.294346D+02  0.226662D+01
      2  -0.846208D+01 -0.160163D+01 -0.198258D+01 -0.172147D+02 -0.136861D+01
      3  -0.613934D+01 -0.450364D+01 -0.162094D+01 -0.122199D+02 -0.898019D+00
      4   0.104161D+02  0.203388D+01  0.318234D+01  0.639599D+00  0.524735D+01
      5   0.540263D+01  0.312042D+01  0.580392D+01  0.201538D+02  0.346799D+01
      6   0.108221D+01  0.141659D+01  0.156656D+01 -0.120748D+01  0.163712D+01
               216           217           218           219           220 
      1   0.125113D+02 -0.531115D+01 -0.406150D+01  0.111152D+02 -0.966344D+00
      2  -0.106709D+02 -0.440893D+01  0.115141D+01  0.355766D+01 -0.365787D+00
      3  -0.184043D+01  0.972008D+01  0.291009D+01 -0.146729D+02  0.133213D+01
      4   0.256725D+01  0.948047D+01  0.218949D+01 -0.506681D+01  0.234101D+01
      5   0.154146D+02 -0.159513D+02 -0.160510D+00  0.995686D+01  0.438304D+00
      6  -0.120477D+01 -0.361466D+01 -0.681643D+01  0.873418D+01 -0.343382D+01
               221           222           223           224           225 
      1  -0.243708D+01  0.611490D+00  0.697591D+01  0.136389D+01 -0.888296D+01
      2   0.331441D+01 -0.237938D+01  0.222925D+01 -0.565162D+00 -0.752076D+01
      3  -0.877336D+00  0.176789D+01 -0.920516D+01 -0.798725D+00  0.164037D+02
      4   0.925422D-02 -0.106569D+01 -0.434511D+01 -0.139015D+01  0.380415D+01
      5  -0.234697D+01  0.240578D+01  0.101707D+02  0.150361D+01 -0.599553D+01
      6  -0.231826D+01  0.259355D+01  0.412508D+01  0.324556D+01 -0.548402D+01
               226           227           228           229           230 
      1   0.800630D+01  0.190382D+01  0.153960D+01  0.295859D+01 -0.413234D+00
      2  -0.169743D+02 -0.321386D+01 -0.175060D+02 -0.648965D+01 -0.541322D+00
      3   0.896800D+01  0.131004D+01  0.159664D+02  0.353106D+01  0.954556D+00
      4  -0.389195D+01  0.392238D+01 -0.453631D+01  0.244025D+01  0.114462D+00
      5   0.231541D+02  0.808141D+00  0.253269D+02  0.714294D+01  0.486731D+01
      6  -0.218916D+01  0.542416D+01 -0.377287D+01  0.381880D+01  0.152736D+01
               231           232           233           234           235 
      1  -0.158242D+01  0.123353D+01  0.393938D-01 -0.692789D+01 -0.219532D+00
      2  -0.809542D+01 -0.141919D+02 -0.231939D+01 -0.239839D+02  0.210670D+01
      3   0.967784D+01  0.129584D+02  0.228000D+01  0.309118D+02 -0.188717D+01
      4   0.218204D+01 -0.372363D+01  0.203257D+01 -0.282669D+01 -0.483619D+01
      5   0.828942D+01  0.203286D+02  0.151540D+01  0.264455D+02  0.251045D+01
      6   0.394736D+01 -0.225183D+01  0.471868D+01 -0.453058D+01 -0.338469D+01
               236           237           238           239           240 
      1  -0.772953D+00 -0.676010D-01 -0.269567D-01 -0.181622D+02  0.516718D+01
      2  -0.424476D+01 -0.149896D+01 -0.559756D+01  0.389564D+02 -0.199031D+01
      3   0.501771D+01  0.156656D+01  0.562452D+01 -0.207942D+02 -0.317686D+01
      4   0.937305D+01 -0.180694D+01  0.100011D+02 -0.197488D+02  0.314324D+01
      5  -0.355098D+01  0.475612D+01 -0.426578D+01  0.575904D+01 -0.307197D+01
      6   0.447136D+01 -0.127823D+01  0.542750D+01 -0.261981D+02  0.103357D+02
               241           242           243 
      1  -0.557944D+00  0.496610D+00 -0.123111D+01
      2  -0.172047D+01  0.390209D+01  0.187249D+01
      3   0.227842D+01 -0.439870D+01 -0.641378D+00
      4   0.101046D+01 -0.191465D+01 -0.133700D+01
      5   0.251674D+01 -0.627704D+00  0.100595D+01
      6  -0.408396D+00  0.398673D+01 -0.286491D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124878D+01      0.317408D+01      0.105876D+02
   x          0.119406D+01      0.303501D+01      0.101237D+02
   y          0.361083D+00      0.917782D+00      0.306139D+01
   z         -0.572722D-01     -0.145571D+00     -0.485574D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111083D+03      0.164608D+02      0.183152D+02
   aniso      0.677782D+01      0.100437D+01      0.111751D+01
   xx         0.114673D+03      0.169928D+02      0.189071D+02
   yx         0.741876D+00      0.109935D+00      0.122319D+00
   yy         0.111152D+03      0.164711D+02      0.183266D+02
   zx        -0.758278D-01     -0.112365D-01     -0.125023D-01
   zy         0.127064D+01      0.188290D+00      0.209500D+00
   zz         0.107424D+03      0.159186D+02      0.177118D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.115470D+03      0.171110D+02      0.190385D+02
   aniso      0.809823D+01      0.120003D+01      0.133522D+01
   xx         0.119983D+03      0.177796D+02      0.197825D+02
   yx         0.970600D+00      0.143828D+00      0.160030D+00
   yy         0.115067D+03      0.170511D+02      0.189720D+02
   zx        -0.339226D+00     -0.502681D-01     -0.559308D-01
   zy         0.144844D+01      0.214637D+00      0.238815D+00
   zz         0.111361D+03      0.165021D+02      0.183610D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -0.55440022         -1.17173471          1.46637180
     6          1.24713593         -0.40281855         -0.74703837
     6          2.61574463          1.95369828          0.37119695
     6          0.61118167          3.20421283          2.11301033
     6         -1.72790882          1.51709188          1.71388342
     6         -0.64851552          0.75767177         -2.59136653
     6         -2.67770388          2.04378602         -0.97888926
     6          2.96269757         -2.37144722         -1.89400782
     8         -0.55861599          0.69570881         -4.86420062
     6          0.81723188         -2.06481574          3.84584418
     6         -2.45868432         -3.22133534          0.72414468
     1          4.27649071          1.34110061          1.42471294
     1          3.28137911          3.20941930         -1.12036676
     1          0.22713334          5.15972960          1.59196226
     1          1.21840752          3.21039407          4.07944558
     1         -4.51226610          1.19815270         -1.38517635
     1         -2.81080301          4.04784575         -1.44331081
     1         -3.16957693          1.69960168          3.17277441
     1          4.00883928         -1.57506098         -3.48141387
     1          1.88647425         -3.97428452         -2.61650711
     1          4.32140922         -3.06823164         -0.50746853
     1          2.27154457         -0.76486114          4.49357797
     1          1.71470381         -3.89260491          3.51756908
     1         -0.53462285         -2.30896400          5.38737421
     1         -3.40765854         -2.85339603         -1.06519045
     1         -3.90895316         -3.41456202          2.18009863
     1         -1.51424252         -5.04581279          0.54663261

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.124878D+01      0.317408D+01      0.105876D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.124878D+01      0.317408D+01      0.105876D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111083D+03      0.164608D+02      0.183152D+02
   aniso      0.677782D+01      0.100437D+01      0.111751D+01
   xx         0.108442D+03      0.160694D+02      0.178797D+02
   yx        -0.200503D+01     -0.297115D+00     -0.330585D+00
   yy         0.110061D+03      0.163093D+02      0.181466D+02
   zx        -0.484440D+00     -0.717866D-01     -0.798734D-01
   zy        -0.579415D+00     -0.858605D-01     -0.955326D-01
   zz         0.114747D+03      0.170037D+02      0.189192D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.115470D+03      0.171110D+02      0.190385D+02
   aniso      0.809823D+01      0.120003D+01      0.133522D+01
   xx         0.112494D+03      0.166699D+02      0.185477D+02
   yx        -0.219765D+01     -0.325658D+00     -0.362344D+00
   yy         0.113836D+03      0.168687D+02      0.187689D+02
   zx        -0.293799D+00     -0.435365D-01     -0.484409D-01
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 "I COULD HAVE DONE IT IN A MUCH MORE COMPLICATED WAY"
 SAID THE RED QUEEN, IMMENSELY PROUD.

                                      -- LEWIS CARROLL
 Job cpu time:       0 days  6 hours 31 minutes 49.4 seconds.
 Elapsed time:       0 days  0 hours 49 minutes 13.1 seconds.
 File lengths (MBytes):  RWF=    397 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 16 13:59:19 2021.
